SCHEMBL19186397

SCHEMBL19186397

FC1(F)c2cc(Br)ccc2-c2ccc(-c3cnc([C@@H]4CC5(CC5)CN4P)[nH]3)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
RPS6KB1 P23443 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL19978299 0.89 PRCP (0.40) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL19186564 0.89 PRCP (0.35) PRCP
SCHEMBL19607500 0.82 PRCP (0.43) PRCP
SCHEMBL16541579 0.80 PRCP (0.45) PRCP
SCHEMBL2708513 0.80 PRCP (0.45) PRCP
SCHEMBL9977086 0.80 RPS6KB1 (0.34) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL19792198 0.80 PRCP (0.43) PRCP
SCHEMBL19209573 0.79 MAPK13 (0.40) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL18080872 0.79 MAPK13 (0.40) PRCPMAPK13MAPK12MAPK11MAPK14
SCHEMBL18301374 0.79 CYP3A4 (0.43) PRCP

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
US-9718807-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2017-08-01 US disclosed