SCHEMBL13794761

SCHEMBL13794761

C/N=C\c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)co1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ BTK Q06187 5/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL11931637 0.95 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL14572362 0.93 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL14218636 0.90 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931635 0.87 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931636 0.87 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931633 0.86 CHEK1 (0.50) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931577 0.85 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218635 0.85 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1JAK3
SCHEMBL11931591 0.82 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1BTK
SCHEMBL11931622 0.82 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1BTK

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
US-7563798-B2 Substituted pyrazolo[1,5-a]pyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-21 — — US disclosed
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