SCHEMBL8082010

SCHEMBL8082010

NC(=O)c1nc(Nc2ccc3[nH]ccc3c2)c2c[c]ncc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
EGFR P00533 6/20 0.43
CSNK2A1 P68400 1/20 0.43
ERBB2 P04626 1/20 0.40
FGFR2 P21802 1/20 0.39
FLT3 P36888 1/20 0.39
FLT1 P17948 4/20 0.39
TGFBR1 P36897 1/20 0.39
PRKD1 Q15139 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PRKCI P41743 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8093515 0.84 CSNK2A1 (0.46) SYKEGFRCSNK2A1ERBB2FLT1
SCHEMBL2998232 0.78 EGFR (0.46) EGFRCSNK2A1ERBB2
SCHEMBL2986229 0.78 AURKA (0.45) SYKEGFRCSNK2A1ERBB2KDR
SCHEMBL8490286 0.77 KMT2A (0.40) SYKEGFRCSNK2A1KDR
SCHEMBL8081976 0.76 CSNK2A1 (0.46) SYKEGFRCSNK2A1
SCHEMBL8096003 0.75 KDM4C (0.38) SYKEGFRERBB2PDGFRBMAPT
SCHEMBL8093494 0.75 XDH (0.33) ERBB2PDGFRBKDRNPC1MAPT
SCHEMBL8096183 0.71 MKNK1 (0.47) SYKEGFRTGFBR1NPC1RAB9A
SCHEMBL8150757 0.71 PDE7A (0.38) EGFRCSNK2A1ERBB2KDRNPC1
SCHEMBL8487402 0.70 EGFR (0.30) EGFRCSNK2A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed