SCHEMBL765369

SCHEMBL765369

CC/C=C\C=C/Cn1c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)cn(Cc2ccccc2F)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
MAPK1 P28482 1/20 0.35
BRD4 O60885 4/20 0.35
MAPK7 Q13164 3/20 0.35
BRD2 P25440 1/20 0.35
EP300 Q09472 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
CREBBP Q92793 1/20 0.35
FLT3 P36888 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
OPRK1 P41145 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GSK3B P49841 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
SCHEMBL13003254 0.82 MAPK14 (0.44) MAPK14MAPK1BRD4MAPK7BRD2
SCHEMBL10273353 0.71 MAPK9 (0.42) MAPK14MAPK1OPRK1
SCHEMBL13003262 0.71 MAPK14 (0.44) MAPK14BRD4MAPK7
SCHEMBL10273087 0.60 MAPK14 (0.55) MAPK14MAPK1
SCHEMBL7698244 0.57 ALDH1A1 (0.71) MAPK14BRD4MAPK7
SCHEMBL26686620 0.57 MAPK14 (0.49) MAPK14MAPK1BRD4MAPK7FLT3
SCHEMBL26686618 0.57 MAPK14 (0.49) MAPK14MAPK1BRD4MAPK7FLT3
SCHEMBL9370469 0.57 OPRK1 (0.46) OPRK1GSK3B
SCHEMBL17730325 0.56 MERTK (0.55) MAPK14FLT3GSK3B
SCHEMBL17730328 0.56 MERTK (0.55) MAPK14FLT3GSK3B

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
EP-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed