SCHEMBL10563780

SCHEMBL10563780

COc1ccc(-c2cc(=Nc3ccccc3)n(C)c(=O)n2C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.43
▸ ATP1B1 P05026 1/20 0.43
▸ ATP1A3 P13637 1/20 0.43
▸ ATP1B2 P14415 1/20 0.43
▸ ATP1A2 P50993 1/20 0.43
▸ ATP1B3 P54709 1/20 0.43
▸ FXYD2 P54710 1/20 0.43
▸ ATP1A4 Q13733 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ PDE4A P27815 8/20 0.40
▸ PDE4B Q07343 8/20 0.40
▸ PDE4C Q08493 8/20 0.40
▸ PDE4D Q08499 8/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 3/20 0.40

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
SCHEMBL10563776 1.00 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10569222 0.88 NPC1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10569218 0.88 NPC1 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10568707 0.86 CYP19A1 (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10568700 0.86 CYP19A1 (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10567872 0.86 FYN (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10567881 0.86 FYN (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Hydrochloric Acid SCHEMBL10569843 0.85 FYN (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Hydrochloric Acid SCHEMBL10569839 0.85 FYN (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10564843 0.83 MAPT (0.46) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824851-A Pyrimidones as cardiotonic, anti hypertensive, cerebrovascular vasodilator and anti-platelet agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 — — US disclosed
EP-0123402-B1 PYRIMIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 — — EP disclosed
US-4746664-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-24 — — US disclosed
US-4612376-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-16 — — US disclosed
EP-0123402-A2 Pyrimidine derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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