SCHEMBL2043072

SCHEMBL2043072

Cn1c(-c2ccccc2CN2CCOCC2)c(-c2cccnc2)c2c(C#N)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.44
PDE10A Q9Y233 1/20 0.41
TBK1 Q9UHD2 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
SRC P12931 1/20 0.38
NSD2 O96028 1/20 0.38
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
SLC2A2 P11168 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CHUK O15111 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
SLC2A1 P11166 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 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
SCHEMBL2039118 0.83 IKBKE (0.41) LRRK2TBK1MAPK13MAPK12MAPK11
SCHEMBL2041982 0.82 DYRK1A (0.38) LMNAKDM4EACVR1
SCHEMBL2039350 0.77 FYN (0.41) LRRK2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2044495 0.74 FYN (0.43) LRRK2ADORA2AMEN1CYP1A2CYP3A4
SCHEMBL2042257 0.71 KMT2A (0.43) LRRK2MEN1KMT2AKDM4E
SCHEMBL2048448 0.71 SMN1; SMN2 (0.46) LRRK2KDRMEN1CYP1A2CYP3A4
SCHEMBL2043476 0.71 CYP11B2 (0.41) LMNACYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL2044964 0.70 FYN (0.42) LRRK2KMT2AKDM4ECDK9
SCHEMBL2044489 0.70 LRRK2 (0.51) LRRK2CDK1KDRLMNACYP1A2
SCHEMBL2048440 0.70 PIM1 (0.41) LRRK2TBK1CHUKMAPK8CAMKK2

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
WO-2011075613-A1 AZAINDOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-06-23 WO claimed
WO-2011075613-A1 AZAINDOLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-06-23 WO disclosed