SCHEMBL7420481

SCHEMBL7420481

O=C1NCc2nc(Br)cnc2N1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MB P02144 2/20 0.45
PARP16 Q8N5Y8 1/20 0.31
PARP3 Q9Y6F1 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
SCHEMBL14703935 0.74 CRBN (0.35)
SCHEMBL28702765 0.70 MB (0.33) MB
SCHEMBL15951381 0.69 MB (0.66) MB
SCHEMBL7419264 0.69 BIRC2 (0.37) MBPARP16PARP3
SCHEMBL15595097 0.69 MTOR (0.34)
SCHEMBL13580189 0.67 NNMT (0.34)
SCHEMBL7414875 0.62 CYP11B1 (0.46) MB
SCHEMBL15074619 0.62 MB (0.66) MB
SCHEMBL6074407 0.62 MB (0.49) MB
SCHEMBL15951375 0.62 MB (1.00) MB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002944-A Compounds having cardiotonic activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-03-26 US disclosed
EP-0333727-A1 HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1989-09-27 EP disclosed
US-4859672-A Pyrido[2,3-d]pyrimidinone and imidazo[4,5-b]pyrimidinone RORER PHARMACEUTICAL CORPORATION (US) 1989-08-22 US disclosed
WO-1988003025-A1 HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-05-05 WO disclosed