SCHEMBL31438540

SCHEMBL31438540

[2H]c1c(NC(C)=O)nc(F)c(C(=O)CBr)c1[2H]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
RAB9A P51151 1/20 0.31
PTPN1 P18031 2/20 0.30
CYP1A2 P05177 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
SCHEMBL31438533 0.90 MAPK8 (0.40) MAPK8ADORA3ADORA2AL3MBTL1KDM4E
SCHEMBL18153003 0.82 MAPK8 (0.42) MAPK8ADORA3ADORA2AL3MBTL1KDM4E
SCHEMBL31438556 0.76 MAPK8 (0.37) MAPK8ADORA3ADORA2AKDM4ELMNA
SCHEMBL31438559 0.74 L3MBTL1 (0.38) MAPK8ADORA3ADORA2AL3MBTL1KDM4E
SCHEMBL25188090 0.70 APP (0.37) PTPN1
SCHEMBL31438509 0.70 APP (0.37) PTPN1
SCHEMBL18153007 0.68 PTK2 (0.44) MAPK8ADORA3L3MBTL1KDM4ELMNA
SCHEMBL31438557 0.67 MAPK8 (0.42) MAPK8ADORA3ADORA2AKDM4ELMNA
SCHEMBL24427232 0.65 AKT1 (0.36)
SCHEMBL25189945 0.65 KDM4E (0.42) MAPK8ADORA3ADORA2AL3MBTL1KDM4E

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
CN-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 CN disclosed