SCHEMBL24288091

SCHEMBL24288091

Cc1nc(NCC2(N(C)C)CCCC2)ncc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.40
▸ MAPK9 P45984 5/20 0.40
▸ CSNK1D P48730 5/20 0.40
▸ PRKD2 Q9BZL6 5/20 0.40
▸ CSNK1A1 P48729 4/20 0.40
▸ PRKD3 O94806 4/20 0.40
▸ MAPK8 P45983 4/20 0.40
▸ TAOK1 Q7L7X3 4/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LIMK1 P53667 2/20 0.40
▸ BCDIN3D Q7Z5W3 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MINK1 Q8N4C8 4/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ MAP4K5 Q9Y4K4 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HRH4 Q9H3N8 3/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 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
Hydrochloric Acid SCHEMBL30838107 0.99 MAP4K4 (0.40) MAP4K4MAPK9CSNK1DPRKD2CSNK1A1
SCHEMBL24288255 0.79 USP2 (0.42) MAP4K4MAPK9CSNK1DPRKD2CSNK1A1
SCHEMBL24288096 0.77 RPS6KA3 (0.44) MAPK9MAPK8DPP4MAPK14MAP4K5
SCHEMBL24288109 0.75 MAP4K4 (0.36) MAP4K4MAPK9CSNK1DPRKD2CSNK1A1
SCHEMBL24288152 0.74 RPS6KA3 (0.47) MAPK8MAPK14ABL1
SCHEMBL24288112 0.73 MAP4K4 (0.35) MAP4K4MAPK9CSNK1DPRKD2CSNK1A1
SCHEMBL24288090 0.72 HRH4 (0.45) ABL1HRH4
Hydrochloric Acid SCHEMBL30838015 0.72 HRH4 (0.45) ABL1HRH4
SCHEMBL30837994 0.71 MAPK8 (0.39) MAP4K4MAPK9CSNK1DPRKD2PRKD3
Hydrochloric Acid SCHEMBL30838027 0.70 MAPK8 (0.39) MAP4K4MAPK9CSNK1DPRKD2PRKD3

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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