SCHEMBL31546512

SCHEMBL31546512

Nc1nc(Cl)c2[nH]cc(Br)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CHUK O15111 1/20 0.39
MAPK1 P28482 1/20 0.33
TRAP1 Q12931 4/20 0.33
HSP90AA1 P07900 3/20 0.33
HSP90B1 P14625 3/20 0.33
GSK3B P49841 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
INSR P06213 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
PRKCA P17252 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
SCHEMBL20524214 0.81 MAPK1 (0.35) MAPK1
SCHEMBL30677355 0.81 MAPK1 (0.35) MAPK1
SCHEMBL29971950 0.69 DYRK1A (0.41) MAPK1DYRK1A
SCHEMBL30677386 0.67 MAPK1 (0.34) MAPK1
SCHEMBL3784217 0.62 DPP4 (0.37) DPP4CHUKHSP90AA1
6-Chloroguanine SCHEMBL6711 0.62 DPP4 (0.52) DPP4CHUKHSP90AA1GSK3BCDK5
SCHEMBL4106056 0.62 DYRK1A (0.50) DPP4CHUKTRAP1HSP90B1DYRK1A
6-Chloroguanine SCHEMBL64059 0.62 DPP4 (1.00) DPP4CDK1CCNB1CDK2
6-Chloroguanine SCHEMBL29475378 0.62 DPP4 (0.52) DPP4CHUKHSP90AA1GSK3BCDK5
SCHEMBL28380264 0.62 MAPK1 (0.48) MAPK1HSP90AA1GSK3BCDK5CDK5R1

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-119947760-A Antibody drug complexes comprising Toll-like receptor 7/8 dual agonist compounds 安斯泰来制药株式会社 2025-05-06 CN disclosed