SCHEMBL7655174

SCHEMBL7655174

OCC(O)C(CO)NCc1cncc(CNC(CO)C(O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 8/20 0.39
▸ TRPV3 Q8NET8 2/20 0.33
▸ CDK2 P24941 2/20 0.31
▸ CDK7 P50613 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ INSRR P14616 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL7108751 0.79 PNP (0.39) PNPTRPV3
SCHEMBL7663759 0.77 TYMP (0.35) PNPDYRK1AKCNH2
SCHEMBL7655578 0.75 PNP (0.39) PNP
SCHEMBL7103658 0.74 PNP (0.43) PNPTRPV3MTAP
SCHEMBL7659608 0.69 PNP (0.38) PNP
SCHEMBL7075461 0.68 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7071084 0.68 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7072329 0.68 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7070778 0.68 PNP (0.39) PNPTRPV3MTAP
SCHEMBL7659507 0.68 TRPV3 (0.52) PNPTRPV3

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-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
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