SCHEMBL6421464

SCHEMBL6421464

O=[C]c1cc2cccnc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.61
RIPK1 Q13546 11/20 0.45
AURKA O14965 1/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28238848 0.85 DAO (0.59) DAORIPK1AURKAPARP1MAPT
SCHEMBL10689563 0.85 DAO (0.59) DAORIPK1AURKAPARP1MAPT
SCHEMBL3155901 0.79 DAO (0.54) DAORIPK1MAPTSNCACCNB2
SCHEMBL668758 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL435130 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL3714541 0.76 DAO (1.00) DAORIPK1AURKAPARP1
SCHEMBL1574005 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL21226786 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL15528142 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL29756947 0.76 DAO (0.65) DAORIPK1AURKAPARP1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US disclosed