SCHEMBL4978435

SCHEMBL4978435

Cc1cc(Nc2nc(OC(C)c3ncc(F)cn3)c(F)c(N3CCC(C#N)CC3)n2)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.75
JAK3 P52333 17/20 0.75
NTRK1 P04629 2/20 0.42
CDK2 P24941 2/20 0.42
STAT5B P51692 2/20 0.42
AURKB Q96GD4 2/20 0.42

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
SCHEMBL4982454 1.00 JAK2 (0.75) JAK2JAK3NTRK1CDK2STAT5B
SCHEMBL4983023 0.96 JAK2 (0.69) JAK2JAK3NTRK1AURKB
SCHEMBL4978181 0.89 JAK2 (0.78) JAK2JAK3
SCHEMBL4978192 0.89 JAK2 (0.78) JAK2JAK3
SCHEMBL4981256 0.86 JAK2 (1.00) JAK2JAK3
SCHEMBL4980582 0.85 JAK2 (0.77) JAK2JAK3NTRK1AURKB
SCHEMBL4980576 0.85 JAK2 (0.77) JAK2JAK3NTRK1AURKB
SCHEMBL4977038 0.84 JAK2 (0.78) JAK2JAK3
SCHEMBL4982598 0.84 JAK2 (0.78) JAK2JAK3
SCHEMBL4983535 0.82 JAK2 (0.61) JAK2JAK3NTRK1CDK2

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed