SCHEMBL30104790

SCHEMBL30104790

CCOC(=O)c1cc2cc(C(F)(F)F)cnc2n1CC#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ELANE P08246 1/20 0.36
MAOB P27338 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL29153696 0.84 CCR9 (0.38) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL24640542 0.83 POLB (0.47) POLBSMN1; SMN2MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL31491281 0.83 POLB (0.46) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL833013 0.81 NOD2 (0.50) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2545450 0.80 NOD2 (0.44) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL926599 0.79 POLB (0.41) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1093477 0.78 MAPT (0.46) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL24640541 0.77 POLB (0.41) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30882745 0.76 NOD2 (0.39) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL832224 0.76 NOD2 (0.41) POLBSMN1; SMN2MAPTNPC1RAB9A

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-117430606-A Sulfonamide PARP7 inhibitors 山东轩竹医药科技有限公司 2024-01-23 CN disclosed
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed