SCHEMBL21498

SCHEMBL21498

COC1(C)CCC(c2cc(N)n3nccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.53
CCNA2 P20248 4/20 0.53
CCNA1 P78396 4/20 0.53
CHEK1 O14757 4/20 0.53
PDE10A Q9Y233 1/20 0.39
CDK9 P50750 12/20 0.35
CCNT1 O60563 11/20 0.35
AVPR1A P37288 1/20 0.33
CDK7 P50613 5/20 0.33
CCNH P51946 4/20 0.33
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CDK1 P06493 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK3 Q00526 1/20 0.31
CDK6 Q00534 1/20 0.31
PIK3CG P48736 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL10252299 0.83 CDK2 (0.49) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL7846641 0.82 CHEK1 (0.68) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL583997 0.80 CHEK1 (0.55) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL7886484 0.78 CDK2 (0.47) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL30758 0.76 CHEK1 (0.60) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL585004 0.76 CDK2 (0.51) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL10236643 0.76 CDK2 (0.51) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL584764 0.75 CHEK1 (0.53) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL584858 0.75 CHEK1 (0.59) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL20974 0.75 CHEK1 (0.59) CDK2CCNA2CCNA1CHEK1PDE10A

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-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed