SCHEMBL28055517

SCHEMBL28055517

CCn1ccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.49
EPHX2 P34913 1/20 0.48
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
CYP17A1 P05093 2/20 0.40
CACNA1G O43497 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1H O95180 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38

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
SCHEMBL13472107 0.80 SMN1; SMN2 (0.54) RAF1NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL30298038 0.79 CACNA1G (0.64) RAF1NPC1RAB9ASMN1; SMN2CACNA1G
SCHEMBL10241117 0.78 EPHX2 (0.55) RAF1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6296539 0.78 GSK3B (0.39) SMN1; SMN2CYP17A1ALDH1A1CYP2C9GSK3B
SCHEMBL19937659 0.77 RAF1 (0.49) RAF1CYP17A1GSK3BDYRK1APCSK9
SCHEMBL28542105 0.74 GSK3B (0.39) CYP17A1KMT2AGSK3BDYRK1A
SCHEMBL31691335 0.73 CACNA1G (0.39) RAF1NPC1RAB9ASMN1; SMN2CACNA1G
SCHEMBL31691255 0.73 KMT2A (0.41) RAF1NPC1RAB9ASMN1; SMN2CACNA1G
SCHEMBL29394473 0.73 LCK (0.47) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL15165775 0.72 SIRT1 (0.49) NPC1RAB9ASMN1; SMN2CACNA1IALDH1A1

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-110156772-A Heterocyclic compound, application thereof and pharmaceutical composition containing same 苏州信诺维医药科技有限公司 2019-08-23 CN disclosed
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN disclosed
CN-105524058-A Pyrazolo[1, 5-a]pyridine compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2016-04-27 CN disclosed