SCHEMBL21682879

SCHEMBL21682879

COc1cc(-c2nc(NC(=O)N[C@H]3CCCNC3)cs2)ccc1C1=CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.56
▸ MAPK1 P28482 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ GCK P35557 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ FLT3 P36888 1/20 0.34

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
SCHEMBL21682881 1.00 POLQ (0.56) POLQMAPK1OPRK1GCKPDPK1
SCHEMBL21706022 0.89 POLQ (0.57) POLQMAPK1CDK5CDK5R1CCNA2
SCHEMBL21682902 0.89 POLQ (0.53) POLQMAPK1CDK5CDK5R1CCNA2
SCHEMBL21682903 0.89 POLQ (0.53) POLQMAPK1CDK5CDK5R1CCNA2
SCHEMBL21706143 0.88 POLQ (0.55) POLQCDK5CDK5R1CCNA2CDK2
SCHEMBL21705908 0.87 POLQ (0.42) POLQMAPK1GCKCDK5CDK5R1
SCHEMBL21705907 0.87 POLQ (0.42) POLQMAPK1GCKCDK5CDK5R1
SCHEMBL21682887 0.86 POLQ (0.43) POLQGCKCDK5CDK5R1CCNA2
SCHEMBL21706123 0.86 POLQ (0.41) POLQMAPK1GCKCDK5CDK5R1
SCHEMBL21706025 0.86 POLQ (0.41) POLQGCKCDK5CDK5R1CCNA2

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
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 — — WO disclosed
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 — — WO disclosed
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