SCHEMBL8322010

SCHEMBL8322010

N#CC(=Cc1c[nH]c2cccnc12)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 4/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.47
PSMD14 O00487 1/20 0.46
RGS12 O14924 1/20 0.46
GMNN O75496 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL8322008 1.00 KMT2A (0.54) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6756837 0.83 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6756840 0.83 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL7465586 0.82 NPC1 (0.67) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL7465583 0.82 NPC1 (0.67) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6758589 0.81 NEK2 (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6758597 0.81 NEK2 (0.50) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6753348 0.79 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6756811 0.79 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL6756809 0.79 KMT2A (0.58) KMT2AKDM4EMEN1ALDH1A1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP claimed
EP-0626963-B1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN SPA (IT) 1999-06-09 EP disclosed
US-5397787-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1995-03-14 US disclosed
EP-0626963-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-12-07 EP disclosed
WO-1994014808-A1 VINYLENE-AZAINDOLE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1994-07-07 WO disclosed