SCHEMBL5779004

SCHEMBL5779004

COCCN(C)C(=O)CC1CCc2c(sc3ncnc(Nc4ccc(OCc5ccc(F)cc5)c(Cl)c4)c23)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
MKNK1 Q9BUB5 12/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
ERBB2 P04626 1/20 0.43
FGFR1 P11362 1/20 0.42

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
SCHEMBL5628974 0.89 EGFR (0.55) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5628943 0.88 EGFR (0.56) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5629041 0.87 EGFR (0.61) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL14459755 0.87 EGFR (0.57) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5628559 0.84 EGFR (0.58) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5628891 0.83 EGFR (0.55) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5629819 0.83 EGFR (0.52) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5632249 0.83 EGFR (0.62) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5630635 0.83 EGFR (0.57) EGFRMKNK1CCNA2CDK2CCNA1
SCHEMBL5632226 0.82 EGFR (0.53) EGFRCCNA2CDK2CCNA1ERBB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US disclosed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP disclosed