SCHEMBL16380629

SCHEMBL16380629

NC(=O)c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.52
▸ DPP4 P27487 18/20 0.46
▸ EGFR P00533 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ DPP8 Q6V1X1 9/20 0.44
▸ DPP9 Q86TI2 3/20 0.44
▸ ACE P12821 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL2777362 0.79 DDR1 (0.51) —
SCHEMBL16380700 0.78 DDR1 (0.50) —
SCHEMBL3311056 0.76 NR1H2 (0.52) —
SCHEMBL16380735 0.76 NR1H2 (0.49) EGFRBRAF
SCHEMBL2707620 0.76 NR1H2 (0.66) EGFRBRAF
SCHEMBL16380771 0.75 NR1H2 (0.51) EGFRBRAF
SCHEMBL29921818 0.74 PDE3B (0.50) BRAF
SCHEMBL2709582 0.74 PDE3B (0.50) BRAF
SCHEMBL2707963 0.74 DDR1 (0.53) —
SCHEMBL2707798 0.73 DDR1 (0.56) BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 — — US disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 — — WO disclosed
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