SCHEMBL29612495

SCHEMBL29612495

CC(C)n1cnc2ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.53
FABP4 P15090 2/20 0.47
HCAR3 P49019 1/20 0.46
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CDK1 P06493 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE4B Q07343 1/20 0.38
GFER P55789 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL19836338 1.00 GLP1R (0.53) GLP1RFABP4HCAR3HPGDMEN1
SCHEMBL30847375 0.86 HCAR3 (0.58) GLP1RFABP4HCAR3HPGDMEN1
SCHEMBL7726925 0.86 HCAR3 (0.58) GLP1RFABP4HCAR3HPGDMEN1
SCHEMBL18009808 0.82 GLP1R (0.47) GLP1RFABP4HPGDMEN1KMT2A
SCHEMBL29734901 0.82 GLP1R (0.47) GLP1RFABP4HPGDMEN1KMT2A
SCHEMBL22272322 0.80 HCAR3 (0.47) GLP1RHCAR3HPGDMEN1KMT2A
SCHEMBL7732282 0.80 RAB9A (0.50) GLP1RHCAR3HPGDMEN1KMT2A
SCHEMBL29037886 0.79 GLP1R (0.45) GLP1RFABP4HPGDMEN1KMT2A
SCHEMBL23063551 0.79 HCAR3 (0.50) GLP1RHCAR3HPGDMEN1KMT2A
SCHEMBL7726920 0.79 HCAR3 (0.46) GLP1RHCAR3HPGDMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724899-A 2 (1H) -quinoxalinone compounds, pharmaceutical compositions and uses thereof 中国药科大学 2024-10-01 CN disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN disclosed
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed