SCHEMBL7375611

SCHEMBL7375611

Cn1nc(C(F)(F)F)cc1-c1sc(C(Cc2ccc3cncnc3c2)N2CCNCC2=O)cc1N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL7407923 0.81 EGFR (0.36) CDK2AKT1
SCHEMBL7409252 0.70 F10 (0.32)
SCHEMBL7374157 0.70 F10 (0.32)
SCHEMBL7370841 0.68
SCHEMBL7407384 0.67 P2RX7 (0.33)
SCHEMBL7553322 0.66 F10 (0.44)
SCHEMBL7451661 0.64 F10 (0.46)
SCHEMBL7554775 0.64 F10 (0.38)
SCHEMBL7372560 0.64 F10 (0.42) AKT1
SCHEMBL7409241 0.62 F10 (0.40)

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
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed