SCHEMBL14218885

SCHEMBL14218885

c1cc(Nc2cc(C3CCCNC3)nc3c(-c4cn[nH]c4)cnn23)ccn1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.65
▸ CCNA2 P20248 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CCNA1 P78396 3/20 0.53

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
SCHEMBL13845589 0.91 CHEK1 (0.63) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218820 0.90 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1
SCHEMBL13845500 0.88 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218800 0.88 CHEK1 (0.61) CHEK1CCNA2CDK2CCNA1
SCHEMBL13845497 0.87 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218818 0.86 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931085 0.86 CHEK1 (0.87) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218821 0.85 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231851 0.85 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542940 0.85 CHEK1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045266-A2 PYRAZOLOPYRIMIDIWES AS CYCLIN DEPENDENT KINASE INHIBITOR SCHERING CORPORATION (US) 2008-04-17 — — WO disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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