SCHEMBL3822753

SCHEMBL3822753

[CH2]Cc1ccc2cncnc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
IMPDH2 P12268 2/20 0.40
TDO2 P48775 1/20 0.39
NOTUM Q6P988 1/20 0.39
BAZ1A Q9NRL2 1/20 0.38
PRMT3 O60678 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
AR P10275 1/20 0.33

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
SCHEMBL3821058 0.85 EGFR (0.55) EGFRTDO2BAZ1APIK3CDPIK3CA
SCHEMBL27694201 0.81 EGFR (0.55) EGFRIMPDH2TDO2NOTUMBAZ1A
SCHEMBL12064494 0.81 EGFR (0.55) EGFRIMPDH2TDO2NOTUMHDAC1
SCHEMBL27474117 0.81 EGFR (0.59) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL7203850 0.81 EGFR (0.55) EGFRIMPDH2TDO2NOTUMBAZ1A
SCHEMBL27906316 0.81 EGFR (0.55) EGFRIMPDH2TDO2NOTUMBAZ1A
SCHEMBL3971054 0.81 EGFR (0.55) EGFRIMPDH2TDO2NOTUMBAZ1A
SCHEMBL27418765 0.80 EGFR (0.46) EGFRIMPDH2TDO2NOTUMPRMT3
SCHEMBL28767381 0.79 EGFR (0.51) EGFRIMPDH2TDO2NOTUMBAZ1A
SCHEMBL9971269 0.79 EGFR (0.51) EGFRIMPDH2TDO2NOTUMHDAC1

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 6 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-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
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 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