SCHEMBL28333003

SCHEMBL28333003

NC(=O)c1cccnc1Cc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
DHODH Q02127 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
RUNX1 Q01196 1/20 0.41
ALKBH1 Q13686 1/20 0.40
ROCK2 O75116 2/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
SYK P43405 3/20 0.39
CCR9 P51686 1/20 0.39
P2RX7 Q99572 1/20 0.38
PARP1 P09874 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL28333015 0.79 SYK (0.42) MAPTSYKPARP1
SCHEMBL3576444 0.76 GPR52 (0.50) GPR52ROCK2AURKARPS6KB1AURKB
SCHEMBL30450461 0.75 PPARA (0.46) MAPTDHODHRAB9AMAPK8MAPK10
SCHEMBL31026154 0.73 SYK (0.49) MAPTRAB9AMAPK10SYKPARP15
SCHEMBL31026156 0.73 SYK (0.49) MAPTRAB9AMAPK10SYKPARP15
SCHEMBL13407882 0.73 CHEK1 (0.47) MAPK8FFAR1FFAR4
SCHEMBL30468358 0.73 CHEK1 (0.47) MAPK8FFAR1FFAR4
SCHEMBL31417793 0.72 FFAR4 (0.44) ALKBH1FFAR1FFAR4
SCHEMBL1135417 0.72 AURKA (0.48) MAPTAURKARPS6KB1AURKBSYK
SCHEMBL30175265 0.71 LMNA (0.55) MAPK8

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
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed