SCHEMBL9820959

SCHEMBL9820959

N#Cc1c(N)ccc(C(=O)CBr)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.40
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
MELK Q14680 2/20 0.34
PTPN1 P18031 3/20 0.33
HPGDS O60760 1/20 0.32
CYP3A4 P08684 2/20 0.31
MAPK8 P45983 2/20 0.31
MAPK9 P45984 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL9821087 0.81 GSK3B (0.40) GSK3BPTPN1HPGDS
SCHEMBL9821022 0.79 LRRK2 (0.37) PRKACAPRKACGPRKACBMELKMAPK8
SCHEMBL1480881 0.72 GSK3B (0.45) GSK3BPTPN1HPGDSCYP3A4KMT2A
SCHEMBL8390310 0.69 TDP1 (0.50) PRKACAPRKACGPRKACBCYP3A4MAPT
SCHEMBL30937027 0.69 TDP1 (0.50) PRKACAPRKACGPRKACBCYP3A4MAPT
SCHEMBL8129402 0.68 ABL1 (0.54) GSK3BCYP3A4MAPTNOS2KDM4E
SCHEMBL3561080 0.68 PRKACA (0.42) PRKACAPRKACGPRKACBCYP3A4MAPT
SCHEMBL5704375 0.68 NOTUM (0.35) CYP3A4CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL17594424 0.68 GABRP (0.42) CYP3A4MAPK8MAPTKMT2AKDM4E
SCHEMBL14720211 0.66 GSK3B (0.40) GSK3BPTPN1HPGDSCYP3A4CYP1A2

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
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed