Sugi Predict

Sugi Predict / Compounds / SCHEMBL2715967

SCHEMBL2715967

SCHEMBL2715967

CC(C)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)nc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.40
▸ RBP4 P02753 2/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL2720162 0.90 NPSR1 (0.37) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL4561884 0.89 RBP4 (0.40) TRPV1RBP4
SCHEMBL2716168 0.89 TRPV1 (0.42) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2717084 0.89 MEN1 (0.38) NPSR1HSD17B10TRPV1RBP4
SCHEMBL2716167 0.89 GAA (0.41) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2716097 0.88 MEN1 (0.39) NPSR1HSD17B10RBP4
SCHEMBL2716592 0.84 TRPV1 (0.48) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2715997 0.83 KMT2A (0.38) TRPV1RBP4
SCHEMBL2719156 0.83 TRPV1 (0.41) NPSR1HSD17B10TRPV1RBP4GAA
SCHEMBL2719095 0.81 PHGDH (0.49) TRPV1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO claimed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
Send feedback