SCHEMBL10175104

SCHEMBL10175104

Cn1c(-c2ccncc2F)nc2ccc(C#N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.45
CYP11B1 P15538 11/20 0.45
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAPK3 O43293 2/20 0.39
MAP4K4 O95819 2/20 0.39
PRKACA P17612 2/20 0.39
LTK P29376 2/20 0.39
MAPK8 P45983 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CDK8 P49336 2/20 0.39
CLK2 P49760 2/20 0.39
CDK9 P50750 2/20 0.39
LIMK1 P53667 2/20 0.39
CDK5 Q00535 2/20 0.39
MAP2K1 Q02750 2/20 0.39
LRRK2 Q5S007 2/20 0.39
AURKB Q96GD4 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALK Q9UM73 2/20 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
SCHEMBL10175114 0.85 CYP11B2 (0.45) CYP11B2CYP11B1POLBSMN1; SMN2DAPK3
SCHEMBL17897061 0.85 CYP11B2 (0.45) CYP11B2CYP11B1POLBSMN1; SMN2DAPK3
SCHEMBL10175109 0.85 CYP11B2 (0.55) CYP11B2CYP11B1POLBSMN1; SMN2
SCHEMBL17883782 0.82 CYP11B2 (0.48) CYP11B2CYP11B1POLBSMN1; SMN2
SCHEMBL17896616 0.81 CYP11B2 (0.43) CYP11B2CYP11B1DAPK3MAP4K4PRKACA
SCHEMBL17896608 0.81 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL17896693 0.81 PDE10A (0.50) CYP11B2CYP11B1POLBSMN1; SMN2GSK3B
SCHEMBL17883794 0.81 CYP11B2 (0.40) CYP11B2CYP11B1DAPK3MAP4K4PRKACA
SCHEMBL17897060 0.79 MEN1 (0.57) CYP11B2CYP11B1DAPK3MAP4K4PRKACA
SCHEMBL31339766 0.78 MEN1 (0.59) CYP11B2CYP11B1POLBSMN1; SMN2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed