Sugi Predict

Sugi Predict / Compounds / SCHEMBL4749313

SCHEMBL4749313

SCHEMBL4749313

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 1.00
▸ JAK3 P52333 11/20 1.00
▸ NTRK1 P04629 11/20 0.76
▸ CDK2 P24941 4/20 0.76
▸ AURKB Q96GD4 3/20 0.76
▸ STAT5B P51692 2/20 0.62
▸ MUSK O15146 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ RET P07949 1/20 0.54
▸ FGFR3 P22607 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ PTK2B Q14289 1/20 0.54

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
SCHEMBL4749310 1.00 JAK2 (1.00) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL14041437 0.86 JAK2 (1.00) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL14041407 0.86 JAK2 (1.00) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL2485537 0.84 JAK3 (0.77) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL2485539 0.84 JAK3 (0.77) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL2569562 0.83 JAK3 (0.77) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL2569557 0.83 JAK3 (0.77) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL22535572 0.81 NTRK1 (0.69) JAK2JAK3NTRK1CDK2AURKB
SCHEMBL20575320 0.80 NTRK1 (0.67) JAK2JAK3NTRK1
SCHEMBL22535786 0.79 NTRK1 (0.67) JAK2JAK3NTRK1

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-2008117050-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRAZINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-02 — — WO disclosed