SCHEMBL6891336

SCHEMBL6891336

CCCCC(CCC)c1cc(O)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.38
▸ CDK9 P50750 19/20 0.38
▸ CDK4 P11802 4/20 0.38
▸ CCND1 P24385 4/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ CCNA1 P78396 4/20 0.38
▸ CDK7 P50613 4/20 0.38
▸ CCNH P51946 4/20 0.38
▸ CDK1 P06493 3/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CCNE1 P24864 3/20 0.38
▸ CDK3 Q00526 3/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK14 O94921 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK17 Q00537 1/20 0.38
▸ CDK18 Q07002 1/20 0.38

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
SCHEMBL6892535 0.85 CCNT1 (0.36) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL6889481 0.79 CCNT1 (0.43) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL25567052 0.74 CCNT1 (0.47) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL13288422 0.72 CDK7 (0.46) CCNT1CDK9CDK2CDK7CCNH
SCHEMBL23933214 0.71 CDK7 (0.49) CCNT1CDK9CDK2CDK7CCNH
SCHEMBL7431490 0.70 PRKAB2 (0.54) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL14043130 0.68 CCNT1 (0.48) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL24418622 0.68 CCNT1 (0.51) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL31023 0.67 PDE10A (0.46) CCNT1CDK9CDK2CCNA1CCNA2
SCHEMBL21877657 0.67 PDE10A (0.56) CCNT1CDK9CDK4CCND1CDK2

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-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO disclosed
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