SCHEMBL14035947

SCHEMBL14035947

CCOC1=CCCC(C(Nc2cc3ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3cc2F)C(=O)O)=C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 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
SCHEMBL2850773 0.81 DHODH (0.38) PDPK1
SCHEMBL5009126 0.78 F7 (0.45)
SCHEMBL2850775 0.73 DHODH (0.35)
SCHEMBL2850812 0.71 F7 (0.44)
SCHEMBL2915392 0.71 F7 (0.44)
SCHEMBL5009130 0.71 F7 (0.43)
SCHEMBL2855069 0.70 F7 (0.44)
SCHEMBL5003230 0.70 F7 (0.39)
SCHEMBL14009541 0.70 F7 (0.45)
SCHEMBL2852064 0.69 NR1H4 (0.37)

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed