SCHEMBL7874462

SCHEMBL7874462

CC(N)c1cc(NCOCC[Si](C)(C)C)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.43
CDK9 P50750 20/20 0.43
CDK4 P11802 6/20 0.42
CCND1 P24385 6/20 0.42
CDK7 P50613 4/20 0.42
CCNH P51946 4/20 0.42
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK1 P06493 3/20 0.39
CCNA2 P20248 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK3 Q00526 3/20 0.39
CCNK O75909 1/20 0.39
CDK14 O94921 1/20 0.39
CYP1A2 P05177 1/20 0.39
CCNC P24863 1/20 0.39
CDK6 Q00534 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK17 Q00537 1/20 0.39
CDK18 Q07002 1/20 0.39

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
SCHEMBL45705 0.81 KCNN3 (0.57)
SCHEMBL7879251 0.78 KCNN3 (0.38) CDK2
SCHEMBL7887263 0.78 PDE10A (0.41) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL30669 0.77 CCNT1 (0.36) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL39693 0.74 PDE10A (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL10209999 0.74 PDE10A (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL10210928 0.73 PDE10A (0.49) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL47770 0.73 PDE10A (0.49) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL17787567 0.69 CCNT1 (0.43) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21946513 0.65 CCNT1 (0.65) 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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed