SCHEMBL10538554

SCHEMBL10538554

CN(N)c1ncn(Cc2ccccc2)c(=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.44
▸ ADORA2B P29275 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CYP11B2 P19099 2/20 0.42
▸ TNF P01375 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ KDM4C Q9H3R0 1/20 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
SCHEMBL11063731 0.84 PNP (0.43) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10537739 0.84 PNP (0.46) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL11069322 0.84 GAA (0.44) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10541524 0.82 PDE4A (0.43) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10542779 0.80 PNP (0.40) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL11068022 0.75 MAT2A (0.42) SMN1; SMN2CYP11B2HPGDHTTGRM1
SCHEMBL11067389 0.74 PNP (0.46) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10541825 0.74 ADORA2B (0.45) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10538565 0.71 YTHDC1 (0.44) PNPADORA2BSMN1; SMN2RXFP1CYP11B2
SCHEMBL10537750 0.70 CYP11B1 (0.43) PNPADORA2BSMN1; SMN2RXFP1CYP11B2

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-RE33125-E HYPOTENSIVE AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-12-05 — — US disclosed
US-4460585-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1984-07-17 — — US disclosed
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