SCHEMBL12965705

SCHEMBL12965705

CN1CCN(Cc2ccc(Nc3cnc4[nH]ncc4c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 7/20 0.60
▸ MAP3K11 Q16584 2/20 0.49
▸ AXL P30530 5/20 0.48
▸ SYK P43405 1/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ CDK2 P24941 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ DDR2 Q16832 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ JAK2 O60674 1/20 0.44
▸ CCR2 P41597 1/20 0.44

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
SCHEMBL12965720 0.80 AXL (0.46) TNIKMAP3K11AXLCDK2FLT3
SCHEMBL14409689 0.74 LMNA (0.59) —
SCHEMBL20635688 0.72 TNIK (0.52) TNIKMAP3K11FGFR1FLT3ABL1
SCHEMBL18921934 0.71 AXL (0.45) TNIKMAP3K11AXLFGFR1CDK2
SCHEMBL12821734 0.71 PDE1B (0.49) MAP3K11AXLFGFR1CDK2FLT3
SCHEMBL3338493 0.69 LMNA (0.62) —
SCHEMBL25550759 0.69 AXL (0.58) AXLFGFR1CDK6JAK2
SCHEMBL26640349 0.68 AXL (0.51) AXLFGFR1CDK2JAK2
SCHEMBL15154791 0.68 MAP3K11 (0.80) TNIKMAP3K11SYKCDK2FLT3
SCHEMBL2981047 0.68 LMNA (0.66) —

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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