SCHEMBL31307016

SCHEMBL31307016

N#Cc1cnc2[nH]cc(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
NTRK1 P04629 2/20 0.44
PIK3CA P42336 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NEK1 Q96PY6 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
CYP2C9 P11712 3/20 0.38
KIT P10721 2/20 0.38
LRRK2 Q5S007 3/20 0.37
MAP3K14 Q99558 1/20 0.36
RIPK1 Q13546 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL21988135 1.00 GSK3B (0.51) GSK3BNTRK1PIK3CAHTTKDM4E
Hydrochloric Acid SCHEMBL21988060 0.98 GSK3B (0.50) GSK3BNTRK1PIK3CAHTTKDM4E
Hydrochloric Acid SCHEMBL30279704 0.98 GSK3B (0.50) GSK3BNTRK1PIK3CAHTTKDM4E
SCHEMBL20846081 0.79 MET (0.41) NTRK1PIK3CANEK1AAK1CYP2C9
SCHEMBL29881388 0.79 BTK (0.40) NTRK1PIK3CANEK1AAK1CYP2C9
SCHEMBL17787159 0.79 BTK (0.40) NTRK1PIK3CANEK1AAK1CYP2C9
SCHEMBL1043610 0.79 BRD4 (0.43) NTRK1PIK3CAHTTKDM4EALDH1A1
SCHEMBL7867182 0.76 KMT2A (0.47) GSK3BNTRK1PIK3CANEK1AAK1
SCHEMBL7214036 0.74 HTT (0.49) NTRK1PIK3CAHTTKDM4EALDH1A1
SCHEMBL22050731 0.73 JAK2 (0.41) NTRK1PIK3CANEK1AAK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004785-A Compounds and compositions for the treatment of diseases associated with STING activity 诺华制药股份有限公司 2025-05-16 CN disclosed
CN-112823036-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-08 CN disclosed