SCHEMBL3636063

SCHEMBL3636063

N#Cc1cc(Br)ccc1F.N#Cc1cc(C#CC2CC2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
FFAR1 O14842 1/20 0.31
P2RY6 Q15077 1/20 0.31
AR P10275 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4300127 0.91 DRD3 (0.36) PTGESDRD2DRD3KCNH2CTSD
SCHEMBL29439602 0.78 TRPV4 (0.43) ARCYP11B1CYP11B2
SCHEMBL80153 0.78 TRPV4 (0.43) ARCYP11B1CYP11B2
SCHEMBL3639193 0.76 CYP11B1 (0.34) FFAR1ARCYP11B1CYP11B2
SCHEMBL9496967 0.73 TRPV4 (0.39) PTGESBACE1FFAR1ARCYP11B1
SCHEMBL9496961 0.73 TRPV4 (0.39) PTGESBACE1FFAR1ARCYP11B1
SCHEMBL31424271 0.72 KDM1A (0.39) KCNH2CTSDBACE1BACE2FFAR1
SCHEMBL9497108 0.71 TRPV4 (0.35) PTGESFFAR1P2RY6ARCYP11B1
SCHEMBL9497103 0.71 TRPV4 (0.35) PTGESFFAR1P2RY6ARCYP11B1
SCHEMBL21258035 0.71 FFAR1 (0.47) KCNH2FFAR1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed