SCHEMBL9821241

SCHEMBL9821241

CC(=O)c1ccc(N)c(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK8 P45983 7/20 0.33
MAPK9 P45984 5/20 0.33
MAP4K4 O95819 2/20 0.33
ITK Q08881 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
GAA P10253 1/20 0.33
CHUK O15111 1/20 0.33
PRKD3 O94806 1/20 0.33
CDK2 P24941 1/20 0.33
CLK2 P49760 1/20 0.33
MAPK10 P53779 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PASK Q96RG2 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
KEAP1 Q14145 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9821022 0.79 LRRK2 (0.37) TSHRMAPK8MAPK9MAP4K4ITK
SCHEMBL9821087 0.79 GSK3B (0.40) KEAP1GSK3B
SCHEMBL25332485 0.75 MMP2 (0.40) TSHRMAPK8MAPK9MAP4K4ITK
SCHEMBL9820984 0.75 TRPV4 (0.36) TSHRMAPK8MAPK9MAP4K4GAA
SCHEMBL31003213 0.74 MMP2 (0.38) GAAKEAP1MEN1KMT2AKDM4E
SCHEMBL9821160 0.73 KDM4E (0.36) TSHRMAPK8MAPK9GAACYP1A2
SCHEMBL10715870 0.73 KEAP1 (0.36) KEAP1MEN1KMT2AALDH1A1THRB
SCHEMBL9821001 0.73 THRB (0.37) KEAP1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9821037 0.72 TAS1R3 (0.33) TSHRMAPK8MAPK9GAACYP1A2
SCHEMBL21811303 0.72 IL4 (0.38) GAAMEN1KMT2AKDM4EALDH1A1

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