SCHEMBL14545193

SCHEMBL14545193

CC(c1cc(O)n2nccc2n1)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.54
▸ CDK9 P50750 20/20 0.54
▸ CDK4 P11802 7/20 0.45
▸ CCND1 P24385 7/20 0.45
▸ CDK7 P50613 3/20 0.45
▸ CCNH P51946 3/20 0.45
▸ CDK2 P24941 5/20 0.43
▸ CCNA1 P78396 5/20 0.43
▸ CDK1 P06493 4/20 0.42
▸ CCNA2 P20248 4/20 0.42
▸ CCNE1 P24864 4/20 0.42
▸ CDK3 Q00526 4/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CDK6 Q00534 1/20 0.42

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
SCHEMBL26868496 0.85 CCNT1 (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26868498 0.85 CCNT1 (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL14050765 0.85 CCNT1 (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26868453 0.85 CCNT1 (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL12953323 0.84 CCNT1 (0.43) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL14043130 0.83 CCNT1 (0.48) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26868787 0.82 CCNT1 (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26868322 0.82 CCNT1 (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26870912 0.82 CCNT1 (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26868692 0.82 CCNT1 (0.50) CCNT1CDK9CDK4CCND1CDK7

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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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