SCHEMBL24288096

SCHEMBL24288096

CNc1ncc(-c2ccc(F)cc2F)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.44
▸ FEN1 P39748 3/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ ABL1 P00519 2/20 0.38
▸ EPHA2 P29317 2/20 0.38
▸ MAPK8 P45983 2/20 0.38
▸ EPHB4 P54760 2/20 0.38
▸ GAK O14976 1/20 0.38
▸ EPHA1 P21709 1/20 0.38
▸ EPHA3 P29320 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ EPHB3 P54753 1/20 0.38
▸ EPHB1 P54762 1/20 0.38
▸ EPHA4 P54764 1/20 0.38
▸ SIK1 P57059 1/20 0.38
▸ SIK2 Q9H0K1 1/20 0.38
▸ SIK3 Q9Y2K2 1/20 0.38
▸ KRAS P01116 2/20 0.37
▸ RAF1 P04049 2/20 0.37

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
SCHEMBL24288255 0.84 USP2 (0.42) FEN1MAPK14EPHA2MAPK8ALOX5AP
SCHEMBL24288152 0.84 RPS6KA3 (0.47) RPS6KA3FEN1MAPK14ABL1MAPK8
SCHEMBL24288094 0.83 CYP11B2 (0.41) RPS6KA3FEN1MAPK14SIK1SIK2
SCHEMBL24288140 0.81 KMO (0.38) FEN1MAPK14ALOX5APDPP4KMO
SCHEMBL27095191 0.78 KMO (0.36) FEN1ABL1ALOX5APDPP4KMO
SCHEMBL24288091 0.77 MAP4K4 (0.40) MAPK14ABL1EPHA2MAPK8DPP4
Hydrochloric Acid SCHEMBL30838107 0.76 MAP4K4 (0.40) MAPK14ABL1EPHA2MAPK8DPP4
SCHEMBL30837994 0.76 MAPK8 (0.39) RPS6KA3MAPK14MAPK8GAKDPP4
Hydrochloric Acid SCHEMBL30838027 0.75 MAPK8 (0.39) RPS6KA3MAPK14MAPK8GAKDPP4
SCHEMBL27095285 0.74 MAPK8 (0.40) RPS6KA3MAPK14MAPK8GAKDPP4

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-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 — — WO disclosed
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