SCHEMBL31550436

SCHEMBL31550436

c1nc(N2CCC2)c2cc[nH]c2n1

nearest known ligand 0.93

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.93
HTR2C P28335 1/20 0.77
AKT2 P31751 4/20 0.72
GSK3B P49841 3/20 0.72
KIT P10721 2/20 0.72
LCK P06239 1/20 0.70
DOT1L Q8TEK3 2/20 0.69
RPS6KB1 P23443 1/20 0.60
AKT1 P31749 1/20 0.58
JAK2 O60674 1/20 0.57

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
SCHEMBL1818852 0.97 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL3959075 0.95 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL2018963 0.95 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL1048998 0.95 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL2024857 0.88 HTR2C (0.89) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL2251760 0.87 HTR2C (1.00) JAK3HTR2CAKT2GSK3BKIT
Piperazine SCHEMBL7852092 0.85 HTR2C (0.97) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL31499276 0.85 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
Hydrochloric Acid SCHEMBL2794687 0.85 HTR2C (0.97) JAK3HTR2CAKT2GSK3BKIT
Hydrochloric Acid SCHEMBL29036000 0.85 HTR2C (0.97) JAK3HTR2CAKT2GSK3BKIT

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-119968373-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2025-05-09 CN disclosed