SCHEMBL25857951

SCHEMBL25857951

COCc1cc(C#N)cc(CCl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.41
EGLN2 Q96KS0 1/20 0.39
APP P05067 3/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
BACE1 P56817 1/20 0.33
GPR35 Q9HC97 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP2A6 P11509 1/20 0.31
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL4694668 0.90 GRM5 (0.46) GRM5EGLN2APPMRGPRX4BACE1
SCHEMBL20698865 0.86 GRM5 (0.46) GRM5EGLN2APPMRGPRX4BACE1
SCHEMBL4696796 0.85 GRM5 (0.41) GRM5EGLN2APPMRGPRX4BACE1
SCHEMBL11741063 0.84 TTR (0.36) GRM5MRGPRX4GPR35CYP2A6TTR
SCHEMBL20698866 0.81 GRM5 (0.41) GRM5EGLN2MRGPRX4
SCHEMBL20681688 0.80 TTR (0.36) GRM5MRGPRX4GPR35CYP2A6TTR
SCHEMBL25077205 0.78 GRM5 (0.50) GRM5EGLN2
SCHEMBL9948037 0.78 GRM5 (0.41) GRM5EGLN2APPBACE1ALDH1A1
SCHEMBL4693657 0.78 GRM5 (0.41) GRM5EGLN2ALDH1A1
SCHEMBL4651507 0.78 GRM5 (0.41) GRM5EGLN2APPMRGPRX4BACE1

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
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed