SCHEMBL218888

SCHEMBL218888

Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 1.00
JAK3 P52333 11/20 1.00
NTRK1 P04629 6/20 0.80
AURKA O14965 3/20 0.80
AURKB Q96GD4 3/20 0.80
PLK4 O00444 1/20 0.80
STK10 O94804 1/20 0.80
PAK4 O96013 1/20 0.80
RET P07949 1/20 0.80
FGFR1 P11362 1/20 0.80
FER P16591 1/20 0.80
CSNK2A2 P19784 1/20 0.80
JAK1 P23458 1/20 0.80
TYK2 P29597 1/20 0.80
FLT3 P36888 1/20 0.80
STAT3 P40763 1/20 0.80
STAT5A P42229 1/20 0.80
CDK3 Q00526 1/20 0.80
PTK2 Q05397 1/20 0.80
TNK2 Q07912 1/20 0.80

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
SCHEMBL217992 0.91 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
Azd-1480 SCHEMBL219103 0.89 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
Azd-1480 SCHEMBL29523565 0.89 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL3345208 0.89 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
Azd-1480 SCHEMBL3345019 0.89 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
Azd-1480 SCHEMBL220400 0.89 JAK2 (1.00) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL220867 0.81 JAK2 (0.72) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL18853845 0.80 JAK2 (0.84) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL4015443 0.79 JAK2 (0.81) JAK2JAK3NTRK1AURKAAURKB
SCHEMBL4015453 0.79 JAK2 (0.81) JAK2JAK3NTRK1AURKAAURKB

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
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed