SCHEMBL5779839

SCHEMBL5779839

CN(C)[C@@H]1CCN(CCC2CCc3c(sc4ncnc(Nc5ccc(F)c(Cl)c5)c34)C2)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.64
CDK2 P24941 1/20 0.64
CCNA1 P78396 1/20 0.64
EGFR P00533 10/20 0.55
FGFR1 P11362 1/20 0.54
MKNK1 Q9BUB5 8/20 0.48
RAF1 P04049 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAP2K1 Q02750 1/20 0.45
SMN1; SMN2 Q16637 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 0.89 CCNA2 (0.71) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5629731 0.88 CCNA2 (0.70) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5629802 0.88 EGFR (0.54) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5630755 0.88 CCNA2 (0.69) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5630921 0.86 CCNA2 (0.67) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5628562 0.86 EGFR (0.63) CCNA2CDK2CCNA1EGFRMKNK1
SCHEMBL5629507 0.86 EGFR (0.63) CCNA2CDK2CCNA1EGFRMKNK1
SCHEMBL5630815 0.86 EGFR (0.63) CCNA2CDK2CCNA1EGFRMKNK1
SCHEMBL5631454 0.85 EGFR (0.54) CCNA2CDK2CCNA1EGFRFGFR1
SCHEMBL5629332 0.85 EGFR (0.54) CCNA2CDK2CCNA1EGFRMKNK1

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