SCHEMBL8058604

SCHEMBL8058604

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.56
MAPK10 P53779 7/20 0.56
MAPK9 P45984 2/20 0.56
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
JAK2 O60674 3/20 0.40
ACVR1 Q04771 2/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PIM1 P11309 1/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
GSK3B P49841 1/20 0.38
JAK3 P52333 1/20 0.38
FLT3 P36888 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
SCHEMBL3753807 0.91 MAPK8 (0.56) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL16390751 0.86 MAPK10 (0.61) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL3748771 0.84 MAPK8 (0.62) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL3752338 0.83 MAPK8 (0.67) MAPK8MAPK10MAPK9ACVR1
SCHEMBL3754435 0.83 MAPK8 (0.80) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3748185 0.83 MAPK8 (0.62) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL8051697 0.82 MAPK8 (0.58) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL3750965 0.79 MAPK8 (0.79) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL8054696 0.77 MAPK8 (0.51) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL3764962 0.77 MAPK8 (0.61) MAPK8MAPK10MAPK9CCNA2CDK2

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-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed