SCHEMBL4004658

SCHEMBL4004658

Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)ncc2F)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.62
JAK3 P52333 14/20 0.62
NTRK1 P04629 5/20 0.58
CDK2 P24941 3/20 0.58
MUSK O15146 1/20 0.58
LCK P06239 1/20 0.58
RET P07949 1/20 0.58
FGFR3 P22607 1/20 0.58
CCNE1 P24864 1/20 0.58
FLT3 P36888 1/20 0.58
PTK2B Q14289 1/20 0.58
AURKB Q96GD4 2/20 0.52
STAT5B P51692 1/20 0.52

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
SCHEMBL4004655 1.00 JAK2 (0.62) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL4001803 0.92 JAK2 (0.62) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL4001797 0.92 JAK2 (0.62) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL4007173 0.90 JAK2 (0.77) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL4007169 0.90 JAK2 (0.77) JAK2JAK3NTRK1CDK2MUSK
SCHEMBL4015443 0.78 JAK2 (0.81) JAK2JAK3NTRK1CDK2RET
SCHEMBL4015453 0.78 JAK2 (0.81) JAK2JAK3NTRK1CDK2RET
SCHEMBL4007328 0.78 JAK2 (0.76) JAK2JAK3NTRK1RETFLT3
SCHEMBL4438437 0.78 JAK2 (0.76) JAK2JAK3NTRK1RETFLT3
SCHEMBL14041525 0.77 JAK2 (1.00) JAK2JAK3NTRK1CDK2MUSK

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-2009007753-A2 4- (3-AMINOPYRAZOLE) -PYRIMIDINE DERIVATIVEE AND THEIR USE AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-01-15 WO disclosed