SCHEMBL10685228

SCHEMBL10685228

COc1ccc(-c2cc(=O)n(C)cn2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.51
▸ PDE4B Q07343 7/20 0.51
▸ PDE4C Q08493 7/20 0.51
▸ PDE4D Q08499 7/20 0.51
▸ SYK P43405 4/20 0.49
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10688714 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL30228827 0.76 EGFR (0.43) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL22324121 0.76 EGFR (0.43) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL10686873 0.76 TDP2 (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10567082 0.74 MEN1 (0.47) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL10688603 0.73 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10842926 0.73 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12962009 0.73 SYK (0.66) SYK
SCHEMBL10688346 0.73 KDM4E (0.51) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL15345108 0.72 RAB9A (0.56) PDE4APDE4BPDE4CPDE4DFYN

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-4725600-A Pyrimidine compounds having activity as a cardiotonic anti-hypertensive cerebrovascular vasodilator and anti-platelet aggregation agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 — — US disclosed
EP-0168262-A2 Pyrimidine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 — — EP disclosed
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