SCHEMBL27712147

SCHEMBL27712147

Fc1ccc(Br)cc1-c1nc(Nc2ccc(C3CNCCO3)cc2)c2nccnc2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.52
TGFBR1 P36897 1/20 0.52
PRKD1 Q15139 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52

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
SCHEMBL2128085 0.78 TGFBR1 (0.77) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2126398 0.78 TGFBR1 (0.64) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2128086 0.78 TGFBR1 (0.56) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL12610114 0.73
SCHEMBL12610111 0.73
SCHEMBL2128905 0.73 TGFBR1 (0.59) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL12609952 0.70
SCHEMBL12609957 0.70
SCHEMBL2126260 0.69 TGFBR1 (0.51) PRKD3TGFBR1PRKD1PRKD2
SCHEMBL29381400 0.69 TGFBR1 (1.00) PRKD3TGFBR1PRKD1PRKD2

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
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 CN disclosed