SCHEMBL11857025

SCHEMBL11857025

O=c1nc(-c2cccc3ccccc23)c2ccccc2n1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.41
▸ PDE4B Q07343 5/20 0.41
▸ PDE4C Q08493 5/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PRKD3 O94806 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ RORA P35398 1/20 0.37

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
SCHEMBL11865220 0.87 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11864694 0.85 MAPT (0.44) CNR2PTGER4KDM4EALDH1A1NPSR1
SCHEMBL11865026 0.85 LMNA (0.37) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11870097 0.84 PARG (0.38) CNR2RORC
SCHEMBL11164226 0.83 POLB (0.51) —
SCHEMBL11857345 0.79 CNR2 (0.42) CNR2RORARORCRORBNPC1
SCHEMBL11635900 0.79 LMNA (0.55) PDE4DPTGER4
SCHEMBL11863918 0.78 GRIN1 (0.46) PDE4APDE4BPDE4CPDE4DPTGER4
SCHEMBL11867581 0.78 ADORA2A (0.43) KDM4EALDH1A1HSD17B10DHFR
SCHEMBL11867757 0.77 PTGER4 (0.43) BRD4PTGER4KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950526-A Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 — — US disclosed
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