SCHEMBL14543167

SCHEMBL14543167

N=CCc1ccc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.74
▸ CCNA2 P20248 17/20 0.74
▸ CDK2 P24941 17/20 0.74
▸ CCNA1 P78396 17/20 0.74

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
SCHEMBL11930891 0.89 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232207 0.89 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930906 0.86 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930771 0.85 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930905 0.83 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930890 0.83 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543171 0.82 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL13845504 0.81 CHEK1 (0.71) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930932 0.81 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930797 0.81 CHEK1 (0.76) 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-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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