SCHEMBL8093515

SCHEMBL8093515

NC(=O)c1nc(Nc2ccc3[nH]ccc3c2)c2c[c]ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.46
EGFR P00533 8/20 0.44
SYK P43405 3/20 0.44
TGFBR1 P36897 1/20 0.42
FLT1 P17948 4/20 0.41
KDR P35968 3/20 0.41
PRKD1 Q15139 1/20 0.41
PDGFRB P09619 1/20 0.41
ERBB2 P04626 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
PRKCI P41743 1/20 0.38

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
SCHEMBL8081976 0.92 CSNK2A1 (0.46) CSNK2A1EGFRSYK
SCHEMBL8082010 0.84 SYK (0.46) CSNK2A1EGFRSYKTGFBR1FLT1
SCHEMBL8096183 0.84 MKNK1 (0.47) EGFRSYKTGFBR1NPC1RAB9A
SCHEMBL8524532 0.80 SYK (0.46) SYKKDRNPC1RAB9AMAPT
SCHEMBL3265691 0.80 MAPT (0.44) CSNK2A1TGFBR1FLT1KDRMAPT
SCHEMBL2991831 0.78 DYRK1A (0.47) CSNK2A1EGFRKDRERBB2
SCHEMBL2992809 0.78 AURKA (0.46) CSNK2A1EGFRSYKKDRERBB2
SCHEMBL8147977 0.75 SCN9A (0.50) CSNK2A1EGFRSYKKDRERBB2
SCHEMBL6584052 0.75 KDM1A (0.45) EGFRTGFBR1MAPT
SCHEMBL4867963 0.75 AURKA (0.48) CSNK2A1EGFRKDRPDGFRBMAPT

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