SCHEMBL25399101

SCHEMBL25399101

CC1(C)OB(c2cc(N)c(C#N)c(F)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.38
LIPG Q9Y5X9 4/20 0.38
ESR2 Q92731 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
ROCK1 Q13464 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
F11 P03951 1/20 0.31

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
SCHEMBL1317499 0.89 LPL (0.43) LPLLIPGESR2TRPV4ROCK1
SCHEMBL4219113 0.82 LPL (0.38) LPLLIPGESR2TRPV4ROCK1
SCHEMBL16534950 0.82 LPL (0.38) LPLLIPGESR2TRPV4ROCK1
SCHEMBL27198578 0.79 LPL (0.36) LPLLIPGESR2TRPV4ROCK1
SCHEMBL20253387 0.79 LPL (0.36) LPLLIPGESR2TRPV4ROCK1
SCHEMBL30827381 0.79 LPL (0.36) LPLLIPGESR2TRPV4ROCK1
SCHEMBL16655624 0.79 LPL (0.43) LPLLIPGESR2ROCK1CA1
SCHEMBL27087945 0.78 LPL (0.42) LPLLIPGROCK1CA1CA2
SCHEMBL29867623 0.78 LPL (0.42) LPLLIPGROCK1CA1CA2
SCHEMBL30673379 0.77 LPL (0.39) LPLLIPGROCK1CA1CA2

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
WO-2023155886-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-08-24 WO disclosed