SCHEMBL7004875

SCHEMBL7004875

COc1c(OCCCl)ccc2c(Nc3ccc4nn[nH]c4c3)c(C#N)cnc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.45
EGFR P00533 9/20 0.45
ERBB2 P04626 7/20 0.45
GAK O14976 1/20 0.41
MAP2K1 Q02750 2/20 0.40
WEE2 P0C1S8 1/20 0.40
WEE1 P30291 1/20 0.40
PKMYT1 Q99640 1/20 0.40
MAP3K8 P41279 1/20 0.40

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
SCHEMBL6999119 0.86 SRC (0.43) SRCEGFRERBB2GAKMAP3K8
SCHEMBL4457251 0.85 EGFR (0.53) SRCEGFRERBB2GAKMAP2K1
SCHEMBL4453393 0.85 EGFR (0.61) SRCEGFRERBB2MAP2K1
SCHEMBL7000865 0.82 SRC (0.43) SRCEGFRERBB2WEE2WEE1
SCHEMBL4443477 0.81 EGFR (0.51) SRCEGFRERBB2GAKMAP2K1
SCHEMBL6999070 0.79 MAP2K1 (0.56) SRCEGFRERBB2MAP2K1
SCHEMBL7000002 0.77 MAP2K1 (0.64) SRCEGFRERBB2MAP2K1
SCHEMBL5252441 0.76 EGFR (0.59) SRCEGFRERBB2MAP3K8
SCHEMBL7004154 0.76 SRC (0.49) SRCEGFRERBB2GAK
SCHEMBL7003243 0.76 MAPT (0.48) SRCEGFRERBB2GAK

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 1 patent. 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