SCHEMBL3823640

SCHEMBL3823640

[CH2]Cc1cc2ccccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
PDPK1 O15530 1/20 0.48
PDE10A Q9Y233 4/20 0.41
NPC1 O15118 2/20 0.40
PLAU P00749 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
RAB9A P51151 1/20 0.38
HTR3A P46098 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
BTK Q06187 1/20 0.36
NQO2 P16083 1/20 0.34
GPR3 P46089 1/20 0.34
CHEK1 O14757 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20388212 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL6598600 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL29526856 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL13977557 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL873512 0.78 CYP1A2 (0.54) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL1999306 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3639574 0.78 PDPK1 (0.54) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL1169875 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL2908675 0.78 L3MBTL1 (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL11395151 0.78 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP disclosed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN disclosed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO disclosed
WO-2007113005-A2 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-11 WO disclosed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO disclosed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 EP disclosed