SCHEMBL19216313

SCHEMBL19216313

CC/C(C)=C\Nc1ncnc(C(C)C)c1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL19216374 0.81 — —
SCHEMBL18708803 0.71 CYP1A2 (0.34) —
SCHEMBL10105599 0.67 — —
SCHEMBL19513022 0.65 MAPT (0.59) —
SCHEMBL854883 0.62 — —
SCHEMBL10133989 0.61 — —
SCHEMBL15830015 0.61 EGFR (0.35) —
SCHEMBL27408429 0.60 ADORA3 (0.35) —
SCHEMBL23341813 0.59 PDPK1 (0.36) —
SCHEMBL10116310 0.59 GPR119 (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-2240451-B1 Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors INTELLIKINE LLC (US) 2017-08-09 — — EP disclosed
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