SCHEMBL7882256

SCHEMBL7882256

Cn1cc(-c2cnn3c(N)cc(C4CCC5C(=O)NC(=O)N5C4)nc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.59
CCNA2 P20248 11/20 0.59
CDK2 P24941 11/20 0.59
CCNA1 P78396 11/20 0.59

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
SCHEMBL6891847 0.88 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL7875491 0.82 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL7874728 0.81 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL6893499 0.81 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL10239437 0.81 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930968 0.81 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231706 0.79 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL2679445 0.78 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL7875490 0.78 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931272 0.78 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1

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