SCHEMBL22676393

SCHEMBL22676393

Cc1ccc(Oc2nccc(C)n2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 3/20 0.46
▸ HTR1A P08908 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ TRPA1 O75762 6/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RXRA P19793 5/20 0.36
▸ GRIN1 Q05586 5/20 0.36
▸ GRIN2B Q13224 5/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ UHRF1 Q96T88 1/20 0.36

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
SCHEMBL26585989 0.85 ALOX5AP (0.50) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL25714089 0.85 ALOX5AP (0.45) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL24773521 0.85 ALOX5AP (0.45) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL30306048 0.85 ALOX5AP (0.45) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL22677156 0.82 ALOX5AP (0.43) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL31129024 0.79 RXRA (0.45) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL22659251 0.76 ALOX5AP (0.39) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL25129367 0.76 ALOX5AP (0.41) ALOX5APFEN1TRPA1CYP3A4CYP2D6
SCHEMBL8049520 0.76 UHRF1 (0.46) HTR1ASLC6A2SLC6A4TRPA1UHRF1
SCHEMBL16502358 0.76 GRM2 (0.43) HTR1ASLC6A2SLC6A4

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-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
WO-2022109577-A1 FGFR INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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