SCHEMBL6891420

SCHEMBL6891420

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CC2CCB(OCN)CC2)nc2ccnn12

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31
CDK9 P50750 3/20 0.31
CDK2 P24941 2/20 0.31
CDK7 P50613 2/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CCNT1 O60563 2/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK3 Q00526 1/20 0.30
CCNH P51946 1/20 0.30

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
SCHEMBL10238822 0.85 CRHR1 (0.34) CRHR1CDK9CDK2CDK7CDK13
SCHEMBL6891477 0.84
SCHEMBL1083234 0.78 DGAT1 (0.38) CRHR1
SCHEMBL6891144 0.78 DGAT1 (0.36)
SCHEMBL584995 0.77 KDM4E (0.38)
SCHEMBL7874289 0.75 PDE10A (0.36) CRHR1CDK9CDK2CDK7CDK13
SCHEMBL7886481 0.73 CRHR1 (0.35) CRHR1CDK9CDK2CDK7CDK13
SCHEMBL600785 0.73 CRHR1 (0.32) CRHR1
SCHEMBL15026289 0.72 CDK2 (0.38) CRHR1CDK9CDK2CDK7CDK13
SCHEMBL15807254 0.71 CDK9 (0.33) CRHR1CDK9CDK2CDK7CDK13

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