SCHEMBL5779318

SCHEMBL5779318

Fc1ccc(Nc2ncnc3sc4c(c23)CCC(CCN2CCN(Cc3ccncc3)CC2)C4)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.63
CDK2 P24941 1/20 0.63
CCNA1 P78396 1/20 0.63
EGFR P00533 11/20 0.56
FGFR1 P11362 1/20 0.56
MKNK1 Q9BUB5 6/20 0.48
RAF1 P04049 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MAP2K1 Q02750 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL5629192 0.90 CCNA2 (0.71) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5629731 0.90 CCNA2 (0.70) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5630755 0.89 CCNA2 (0.69) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5630921 0.88 CCNA2 (0.67) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5632487 0.86 EGFR (0.65) EGFRMKNK1
SCHEMBL5630712 0.85 EGFR (0.52) CCNA2CDK2CCNA1EGFR
SCHEMBL5629184 0.84 CCNA2 (0.70) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5630757 0.84 CCNA2 (0.74) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5779839 0.84 CCNA2 (0.64) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5631328 0.83 CCNA2 (0.64) CCNA2CDK2CCNA1EGFRFGFR1

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