SCHEMBL6992590

SCHEMBL6992590

COc1ccc2c(Nc3ccc(-n4ccnc4)c(Cl)c3)c(C#N)cnc2c1N

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.55
ERBB2 P04626 9/20 0.55
SRC P12931 4/20 0.49
IGF1R P08069 2/20 0.46
MAP3K8 P41279 1/20 0.45
PRKCQ Q04759 1/20 0.43
STK4 Q13043 1/20 0.42
CGAS Q8N884 1/20 0.42
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL7001573 0.88 EGFR (0.55) EGFRERBB2SRCIGF1RMAP3K8
SCHEMBL4447081 0.85 EGFR (0.65) EGFRERBB2SRCIGF1RMAP2K1
SCHEMBL6383067 0.82 EGFR (0.69) EGFRERBB2SRCMAP3K8
SCHEMBL4449025 0.80 EGFR (0.63) EGFRERBB2SRCIGF1RSTK4
SCHEMBL7002441 0.79 EGFR (0.57) EGFRERBB2SRCIGF1RMAP3K8
SCHEMBL7002118 0.79 IGF1R (0.74) EGFRERBB2IGF1RMAP2K1
SCHEMBL6999369 0.77 EGFR (0.58) EGFRERBB2SRCMAP3K8STK4
SCHEMBL6995338 0.76 MAP2K1 (0.59) EGFRERBB2SRCIGF1RMAP2K1
SCHEMBL6379771 0.75 SRC (0.61) EGFRERBB2SRCMAP3K8PRKCQ
SCHEMBL6382251 0.75 EGFR (0.54) EGFRERBB2SRCMAP3K8MAP2K1

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