SCHEMBL30677000

SCHEMBL30677000

FC(F)(F)c1cncc(-c2cc3cccnc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 16/20 0.52
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ NPY5R Q15761 1/20 0.48
▸ CLK2 P49760 3/20 0.46
▸ CLK3 P49761 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ WNT1 P04628 1/20 0.46

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
SCHEMBL1780991 0.79 CYP19A1 (0.66) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL26503311 0.76 PIK3C3 (0.48) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL20765188 0.76 PIK3C3 (0.48) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL30380842 0.76 PIK3C3 (0.48) CCNB2CDK1CCNB1CCNB3NPY5R
SCHEMBL26053438 0.75 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778505 0.73 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL7892114 0.72 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL14733052 0.70 ULK1 (0.53) CCNB2CDK1CCNB1CCNB3
SCHEMBL28300252 0.70 RIPK1 (0.62) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL21755111 0.70 RIPK1 (0.53) RIPK1CCNB2CDK1CCNB1CCNB3

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
CN-117241800-A Antiviral Activity of VPS34 inhibitors 德西费拉制药有限责任公司 2023-12-15 — — CN claimed
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