SCHEMBL5820339

SCHEMBL5820339

c1ccc2c(N3CCOCC3)cncc2c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.67
CYP11B2 P19099 8/20 0.67
NCF1 P14598 2/20 0.50
CDK8 P49336 2/20 0.50
LRRK2 Q5S007 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
PRKDC P78527 2/20 0.46
METAP1 P53582 1/20 0.45

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
SCHEMBL27856065 0.83 CYP11B1 (0.61) CYP11B1CYP11B2CDK8MAPT
SCHEMBL27904788 0.83 LRRK2 (0.57) CYP11B1CYP11B2NCF1LRRK2KDM4E
SCHEMBL31342013 0.83 CYP11B1 (0.72) CYP11B1CYP11B2NCF1CDK8KDM4E
SCHEMBL15488697 0.81 POLB (0.52) CYP11B1CYP11B2KDM4EMAPTPOLB
SCHEMBL28033595 0.80 CYP11B1 (0.61) CYP11B1CYP11B2NCF1CDK8
SCHEMBL6263602 0.80 CYP11B1 (0.66) CYP11B1CYP11B2NCF1CDK8KDM4E
SCHEMBL2320577 0.79 NCF1 (0.62) NCF1KDM4EMAPTPOLBPRKDC
SCHEMBL29999231 0.79 NCF1 (0.62) NCF1KDM4EMAPTPOLBPRKDC
SCHEMBL15741641 0.76 PIK3CA (0.48) CYP11B1CYP11B2PRKDCMETAP1
SCHEMBL6359045 0.75 CYP11B1 (0.60) CYP11B1CYP11B2NCF1CDK8KDM4E

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
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO disclosed