SCHEMBL17690308

SCHEMBL17690308

CSc1nc(NCc2ccc[n+](O)c2)n2ncc(C(F)(F)F)c2n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.35
▸ ABL1 P00519 9/20 0.35
▸ FYN P06241 3/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ PPARG P37231 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14194752 0.89 CDK2 (0.41) SRCABL1FYNCDK5CDK5R1
SCHEMBL14194739 0.84 CDK2 (0.41) SRCABL1FYNCDK5CDK5R1
SCHEMBL17690298 0.82 CDK2 (0.37) SRCABL1FYNCDK5CDK5R1
SCHEMBL25255341 0.74 — —
SCHEMBL14194717 0.73 CDK2 (0.50) SRCABL1FYNCDK5CDK5R1
SCHEMBL17690303 0.71 CDK2 (0.38) SRCABL1FYNCDK5CDK5R1
SCHEMBL14194748 0.71 CDK2 (0.44) SRCABL1CDK5CDK5R1CDK2
SCHEMBL23508152 0.71 EGLN1 (0.34) SRCABL1CDK2CDK9CDK7
SCHEMBL30013417 0.71 EGLN1 (0.34) SRCABL1CDK2CDK9CDK7
SCHEMBL25303402 0.69 SCN2A (0.34) —

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
EP-1720883-B1 PYRAZOLOTRIAZINES AS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 — — EP disclosed
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