SCHEMBL16390751

SCHEMBL16390751

O=C(O)N1CCN(c2cc(F)cc(-c3ccnc(Nc4ccc(-n5cnc(C(F)(F)F)n5)cc4)n3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.61
MAPK8 P45983 7/20 0.61
MAPK9 P45984 2/20 0.61
JAK2 O60674 7/20 0.43
FLT3 P36888 1/20 0.42
ACVR1 Q04771 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
CDK2 P24941 3/20 0.41
CCNA2 P20248 2/20 0.41
CCNA1 P78396 2/20 0.41
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL3753807 0.90 MAPK8 (0.56) MAPK10MAPK8MAPK9JAK2FLT3
SCHEMBL3764962 0.89 MAPK8 (0.61) MAPK10MAPK8MAPK9JAK2FLT3
SCHEMBL3754435 0.87 MAPK8 (0.80) MAPK10MAPK8MAPK9JAK2JAK1
SCHEMBL3752338 0.87 MAPK8 (0.67) MAPK10MAPK8MAPK9ACVR1
SCHEMBL8058604 0.86 MAPK8 (0.56) MAPK10MAPK8MAPK9JAK2FLT3
SCHEMBL3748185 0.86 MAPK8 (0.62) MAPK10MAPK8MAPK9JAK2ACVR1
SCHEMBL3748771 0.86 MAPK8 (0.62) MAPK10MAPK8MAPK9JAK2FLT3
SCHEMBL3751455 0.82 MAPK8 (0.54) MAPK10MAPK8MAPK9JAK2FLT3
SCHEMBL3750965 0.80 MAPK8 (0.79) MAPK10MAPK8MAPK9JAK2JAK1
SCHEMBL8051697 0.80 MAPK8 (0.58) MAPK10MAPK8MAPK9JAK2JAK3

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-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP claimed