SCHEMBL27369600

SCHEMBL27369600

CC(C)n1cc(-c2ccnc3[nH]c(C4CCN(C)CC4)cc23)ccc1=O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.80
▸ CASP3 P42574 16/20 0.80
▸ CASP7 P55210 16/20 0.80
▸ CDK1 P06493 3/20 0.72
▸ CDK2 P24941 3/20 0.72
▸ GSK3B P49841 3/20 0.72
▸ CDK7 P50613 3/20 0.72
▸ CDK12 Q9NYV4 3/20 0.72
▸ CCNT1 O60563 5/20 0.54

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
SCHEMBL27382665 0.89 CDK9 (1.00) CDK9CASP3CASP7CDK1CDK2
SCHEMBL30828123 0.84 CDK9 (0.76) CDK9CASP3CASP7CDK1CDK2
SCHEMBL30828122 0.84 CDK9 (0.76) CDK9CASP3CASP7CDK1CDK2
SCHEMBL30394395 0.84 CDK9 (0.78) CDK9CASP3CASP7CDK1CDK2
SCHEMBL27371590 0.80 CDK9 (0.63) CDK9CASP3CASP7CCNT1
SCHEMBL27382666 0.78 CDK9 (0.66) CDK9CASP3CASP7CDK1CDK2
SCHEMBL16040786 0.72 CCNT1 (0.65) CDK9CASP3CASP7CCNT1
SCHEMBL30381731 0.72 CCNT1 (0.65) CDK9CASP3CASP7CCNT1
SCHEMBL31380019 0.71 CDK9 (0.67) CDK9CASP3CASP7CCNT1
SCHEMBL25858983 0.71 CDK9 (0.67) CDK9CASP3CASP7CCNT1

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-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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