SCHEMBL7000002

SCHEMBL7000002

COc1ccc2c(Nc3ccc4nn[nH]c4c3)c(C#N)cnc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.64
RAF1 P04049 3/20 0.64
SRC P12931 7/20 0.55
EGFR P00533 6/20 0.53
ERBB2 P04626 5/20 0.53
PDE4B Q07343 1/20 0.49

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
SCHEMBL4453384 0.93 MAP2K1 (0.65) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4557258 0.85 MAP2K1 (0.52) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4451083 0.84 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4451103 0.81 MAP2K1 (0.65) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4443477 0.80 EGFR (0.51) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL31084986 0.80 SRC (0.74) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4453393 0.80 EGFR (0.61) MAP2K1SRCEGFRERBB2
SCHEMBL4457251 0.80 EGFR (0.53) MAP2K1SRCEGFRERBB2
SCHEMBL6381524 0.78 MAP2K1 (0.67) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4447098 0.78 MAP2K1 (0.64) MAP2K1RAF1SRCEGFRERBB2

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed