SCHEMBL9876903

SCHEMBL9876903

COc1cccc(-n2nc(-c3ccccc3)c3cccnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
TP53 P04637 1/20 0.48
MAOB P27338 1/20 0.46
PTGER1 P34995 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
KAT2B Q92831 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL30879907 0.86 SRC (0.48) TP53PTGER1TSHRMAPK1HSD17B10
SCHEMBL29930901 0.86 CCNA2 (0.53) CCNA2CDK2MAOBTSHRMAPK1
SCHEMBL9234476 0.83 TNK2 (0.44) CCNA2CDK2PTGER1ALDH1A1LMNA
SCHEMBL30879866 0.83 ALDH1A1 (0.47) TP53MAOBHSD17B10MAPTDYRK1A
SCHEMBL9876890 0.82 PTGER1 (0.50) CCNA2CDK2PTGER1TSHRMAPK1
SCHEMBL9876523 0.81 PTGER1 (0.39) CCNA2CDK2PTGER1TSHRMAPK1
SCHEMBL9877014 0.81 PTGER1 (0.41) CCNA2CDK2TP53MAOBPTGER1
SCHEMBL9876520 0.80 PTGER1 (0.38) CCNA2CDK2PTGER1TSHRMAPK1
SCHEMBL7359895 0.78 PDE4A (0.53) TP53TSHRMAPK1HSD17B10MAPT
SCHEMBL9876738 0.78 TP53 (0.54) CCNA2CDK2TP53MAOBMAPT

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