SCHEMBL9876686

SCHEMBL9876686

Oc1ccc(-c2nn(-c3ccccc3)c3ncccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.50
CCNA2 P20248 7/20 0.49
CDK2 P24941 7/20 0.49
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CDK7 P50613 1/20 0.46
CCNH P51946 1/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL9876766 0.94 PTGER1 (0.53) PTGER1CCNA2CDK2CDK1CDK4
SCHEMBL9877081 0.88 CCNA2 (0.49) PTGER1CCNA2CDK2NPSR1MAPT
SCHEMBL9876850 0.88 MAPT (0.47) PTGER1CCNA2CDK2GAANPSR1
SCHEMBL9876695 0.88 CCNA2 (0.49) PTGER1CCNA2CDK2GAANPSR1
SCHEMBL9876681 0.88 CCNA2 (0.49) PTGER1CCNA2CDK2GAANPSR1
SCHEMBL9876890 0.85 PTGER1 (0.50) PTGER1CCNA2CDK2CDK1CDK4
SCHEMBL9236865 0.81 PTGER1 (0.49) PTGER1CCNA2CDK2MEN1KMT2A
SCHEMBL9876637 0.80 PTGER1 (0.50) PTGER1CCNA2CDK2CDK1CDK4
SCHEMBL10590202 0.80 PTGER1 (0.48) PTGER1CCNA2CDK2CDK1CDK4
SCHEMBL19465579 0.79 CCNA2 (0.53) CCNA2CDK2CDK1CDK4CCNB1

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