SCHEMBL24288109

SCHEMBL24288109

Cc1nc(NCC2N(C)CCC2(F)F)ncc1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 4/20 0.36
▸ MAPK9 P45984 4/20 0.36
▸ CSNK1D P48730 4/20 0.36
▸ PRKD2 Q9BZL6 4/20 0.36
▸ MAPK8 P45983 4/20 0.36
▸ PRKD3 O94806 3/20 0.36
▸ TAOK1 Q7L7X3 3/20 0.36
▸ CSNK1A1 P48729 3/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ HRH4 Q9H3N8 3/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34

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
SCHEMBL27095220 0.83 HCRTR1 (0.35) MAP4K4MAPK9CSNK1DPRKD2MAPK8
SCHEMBL24288112 0.80 MAP4K4 (0.35) MAP4K4MAPK9CSNK1DPRKD2MAPK8
SCHEMBL24288090 0.80 HRH4 (0.45) HRH4ABL1
Hydrochloric Acid SCHEMBL30838015 0.79 HRH4 (0.45) HRH4ABL1
SCHEMBL24288101 0.78 IL1B (0.39) HRH4DPP4AOC3MAPK14
SCHEMBL24288255 0.75 USP2 (0.42) MAP4K4MAPK9CSNK1DPRKD2MAPK8
SCHEMBL24288064 0.75 ALDH1A1 (0.47) KDM4EMEN1POLBKMT2AALDH1A1
SCHEMBL24288091 0.75 MAP4K4 (0.40) MAP4K4MAPK9CSNK1DPRKD2MAPK8
Hydrochloric Acid SCHEMBL30837986 0.74 CHRM3 (0.47) HRH4
Hydrochloric Acid SCHEMBL30838107 0.74 MAP4K4 (0.40) MAP4K4MAPK9CSNK1DPRKD2MAPK8

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
Send feedback