SCHEMBL14232212

SCHEMBL14232212

c1n[nH]cc1-c1cnn2c(NC3CCNCC3)cc(C3CCCNC3)nc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.74
▸ CCNA2 P20248 6/20 0.52
▸ CDK2 P24941 6/20 0.52
▸ CCNA1 P78396 6/20 0.52

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
SCHEMBL14231851 0.95 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231853 0.87 CHEK1 (0.61) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232210 0.86 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231852 0.86 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930918 0.85 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231850 0.84 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218885 0.84 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232211 0.84 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930950 0.83 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218616 0.83 CHEK1 (0.54) 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-2008045267-A2 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-04-17 — — WO disclosed
Send feedback