SCHEMBL16495673

SCHEMBL16495673

O=C1CC(=O)C(CCC(F)(F)F)CN1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL30961331 0.81 CGAS (0.31)
SCHEMBL4502314 0.81 CDC7 (0.38) CDC7CDK9
SCHEMBL29701856 0.71 CGAS (0.32)
SCHEMBL4771376 0.71 CDC7 (0.36) CDC7CDK9
SCHEMBL29100873 0.70
SCHEMBL1671939 0.70 SYK (0.32)
SCHEMBL1671842 0.70 SYK (0.32)
SCHEMBL23758034 0.68 MAP3K14 (0.43)
SCHEMBL15561498 0.67 FAAH (0.37)
SCHEMBL16653229 0.67 AR (0.34) CDC7CDK9

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-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed