SCHEMBL29626720

SCHEMBL29626720

CC(=O)c1cccc(-n2ncc(-c3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.45
MAP4K4 O95819 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
LIMK1 P53667 1/20 0.45

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
SCHEMBL28741803 1.00 FYN (0.45) FYNMAP4K4CLK4AURKADAPK3
SCHEMBL5710307 0.82 GRM5 (0.48) NPC1RAB9AGRM5MEN1ALDH1A1
SCHEMBL19125261 0.79 EGLN1 (0.43) POLBNPC1RAB9AMEN1ALDH1A1
SCHEMBL28434913 0.79 RAB9A (0.48) NPC1RAB9AGRM5ADORA2AADORA1
SCHEMBL17279823 0.77 KDM4E (0.56) NPC1RAB9AGRM5MEN1ALDH1A1
SCHEMBL29640089 0.76 GRM5 (0.39) CDK8GRM5ADORA2AADORA1
SCHEMBL28741853 0.76 GRM5 (0.39) CDK8GRM5ADORA2AADORA1
SCHEMBL28278292 0.76 GABRA1 (0.45) POLBNPC1RAB9AGRM5MEN1
SCHEMBL27750896 0.75 GRM5 (0.41) AURKANTRK1FGFR1MAP2K2MAPK8
SCHEMBL186881 0.74 KDM4E (0.51) NPC1RAB9AGRM5MEN1ALDH1A1

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed