SCHEMBL4416946

SCHEMBL4416946

COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](NC(=O)O)C4)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.78
▸ AAK1 Q2M2I8 9/20 0.78
▸ CIT O14578 1/20 0.78
▸ CHEK1 O14757 1/20 0.78
▸ GAK O14976 1/20 0.78
▸ STK10 O94804 1/20 0.78
▸ PRKD3 O94806 1/20 0.78
▸ ABL1 P00519 1/20 0.78
▸ LCK P06239 1/20 0.78
▸ FYN P06241 1/20 0.78
▸ YES1 P07947 1/20 0.78
▸ LYN P07948 1/20 0.78
▸ RET P07949 1/20 0.78
▸ HCK P08631 1/20 0.78
▸ SRC P12931 1/20 0.78
▸ PHKG2 P15735 1/20 0.78
▸ PRKCA P17252 1/20 0.78
▸ PRKACA P17612 1/20 0.78
▸ CSNK2A2 P19784 1/20 0.78
▸ PRKACB P22694 1/20 0.78

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
SCHEMBL1219913 0.94 EGFR (0.78) EGFRAAK1CITCHEK1GAK
SCHEMBL4329269 0.91 EGFR (0.72) EGFRAAK1CITCHEK1GAK
SCHEMBL4328958 0.91 EGFR (0.72) EGFRAAK1CITCHEK1GAK
SCHEMBL1220909 0.89 EGFR (0.80) EGFRAAK1CITCHEK1GAK
SCHEMBL12896142 0.89 EGFR (0.80) EGFRAAK1CITCHEK1GAK
SCHEMBL4331313 0.89 EGFR (0.71) EGFRAAK1CITCHEK1GAK
SCHEMBL1220055 0.89 EGFR (0.71) EGFRAAK1CITCHEK1GAK
SCHEMBL1220192 0.88 EGFR (0.86) EGFRAAK1CITCHEK1GAK
SCHEMBL1220194 0.88 EGFR (0.86) EGFRAAK1CITCHEK1GAK
SCHEMBL1220410 0.88 EGFR (0.75) EGFRAAK1CITCHEK1GAK

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-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 — — EP claimed
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