SCHEMBL8446397

SCHEMBL8446397

O=C(Nc1nc(C(=O)c2ccccc2)nc2nc[nH]c12)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.64
NT5C2 P49902 2/20 0.56
NT5E P21589 1/20 0.54
STAT3 P40763 3/20 0.52
CREBBP Q92793 1/20 0.46
HDAC1 Q13547 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BTK Q06187 1/20 0.43
PDPK1 O15530 1/20 0.42

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
SCHEMBL8121393 0.84 STAT3 (0.69) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL5694052 0.84 BRD4 (0.67) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL475842 0.83 BRD4 (0.66) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL5694204 0.83 BRD4 (0.66) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL28472898 0.82 BRD4 (0.46) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL8362516 0.81 BRD4 (0.45) BRD4NT5C2NT5ESTAT3BTK
SCHEMBL10432005 0.80 BRD4 (0.62) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL23124 0.79 BRD4 (1.00) BRD4NT5C2NT5ECREBBPNPC1
SCHEMBL134909 0.79 PDPK1 (0.49) BRD4STAT3NPC1RAB9APOLB
SCHEMBL29514799 0.79 BRD4 (1.00) BRD4NT5C2NT5ECREBBPNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO claimed
JP-60199899-A None JP disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 EP disclosed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed
WO-1995000515-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
JP-S60199899-A NUCLEOSIDE 3'-PHOSPHOTRIESTER DERIVATIVE FUJIREBIO INC 1985-10-09 JP disclosed