SCHEMBL9877012

SCHEMBL9877012

CC(COc1cccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)c1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4A P27815 1/20 0.35
KCNH2 Q12809 1/20 0.35
SRC P12931 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR1 P25024 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9876523 0.91 PTGER1 (0.39) CCNA2CDK2PDE4AKCNH2MEN1
SCHEMBL9877691 0.90 CCNA2 (0.39) CCNA2CDK2GAAPDE4AKCNH2
SCHEMBL9876885 0.89 CCNA2 (0.37) CCNA2CDK2GAANPSR1PDE4A
SCHEMBL9876897 0.84 KDM4E (0.42) CCNA2CDK2GAANPSR1SRC
SCHEMBL9231716 0.84 CCNA2 (0.38) CCNA2CDK2GAANPSR1PDE4A
SCHEMBL9876856 0.83 KDM4E (0.43) CCNA2CDK2GAANPSR1SRC
Fumaric Acid SCHEMBL9234660 0.82 NPSR1 (0.38) CCNA2CDK2GAANPSR1PDE4A
Maleic Acid SCHEMBL9234653 0.82 NPSR1 (0.38) CCNA2CDK2GAANPSR1PDE4A
SCHEMBL9876520 0.80 PTGER1 (0.38) CCNA2CDK2PDE4AKCNH2MEN1
SCHEMBL9876945 0.79 CCNA2 (0.37) CCNA2CDK2GAAPDE4AKCNH2

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed