SCHEMBL12965680

SCHEMBL12965680

Cc1n[nH]c2ncc(-c3cccc(CN)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 3/20 0.55
▸ FGFR2 P21802 2/20 0.46
▸ FGFR3 P22607 2/20 0.46
▸ SGK1 O00141 1/20 0.46
▸ FGFR1 P11362 2/20 0.43
▸ PRMT5 O14744 6/20 0.42
▸ WDR77 Q9BQA1 6/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ CHEK1 O14757 2/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ KARS1 Q15046 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ NEK2 P51955 1/20 0.38
▸ MAPK15 Q8TD08 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL20937942 0.88 SGK1 (0.52) CDK8SGK1PRMT5WDR77GSK3A
SCHEMBL12965933 0.84 CHEK1 (0.44) CDK8FGFR1GSK3AGSK3BCHEK1
SCHEMBL12821617 0.80 TNIK (0.53) NMT1
SCHEMBL18371143 0.78 CYP1A2 (0.33) CDK8SGK1PRMT5WDR77CYP1A2
Hydrochloric Acid SCHEMBL18423416 0.77 CYP1A2 (0.33) CDK8SGK1PRMT5WDR77CYP1A2
SCHEMBL12821790 0.75 AXL (0.60) CDK8FGFR3SGK1FGFR1GSK3A
SCHEMBL12821681 0.73 CHEK1 (0.69) FGFR1GSK3AGSK3BCHEK1KIT
SCHEMBL12813739 0.73 GSK3A (0.47) CDK8GSK3AGSK3B
SCHEMBL1585143 0.73 SGK1 (0.54) CDK8SGK1PRMT5WDR77GSK3A
SCHEMBL12821647 0.73 BTK (0.55) CDK8

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-2012135631-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMAEUTICALS LLC (US) 2012-10-04 — — WO disclosed
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