SCHEMBL10692090

SCHEMBL10692090

O=c1[nH]c2ncccc2cc1-c1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.52
RIPK1 Q13546 10/20 0.40
AURKA O14965 1/20 0.39
PARP1 P09874 1/20 0.39
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL7499608 0.78 KDR (0.60) DAOPDGFRBFGFR1KDR
SCHEMBL10692085 0.78 DAO (0.52) DAOPARP1PDGFRBFGFR1KDR
SCHEMBL8696998 0.75 DAO (0.59) DAORIPK1AURKAPARP1CCNB2
SCHEMBL7084448 0.74 FGFR1 (0.70) DAOPDGFRBFGFR1KDRCDK1
SCHEMBL7502994 0.74 DAO (0.41) DAOPARP1PDGFRBFGFR1KDR
Hydrochloric Acid SCHEMBL29691618 0.73 DAO (0.54) DAORIPK1AURKAPARP1
SCHEMBL9252121 0.69 DAO (0.50) DAOPARP1PDGFRBFGFR1KDR
SCHEMBL7502200 0.69 KDR (0.40) DAOPDGFRBFGFR1KDR
SCHEMBL10691644 0.69 DAO (0.50) DAOPDGFRBFGFR1KDR
SCHEMBL31093732 0.69 DAO (0.49) DAOAURKAPARP1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP claimed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP claimed
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed