SCHEMBL29707256

SCHEMBL29707256

Clc1cc(-c2ccn3cnnc3c2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CDK7 P50613 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
FLT3 P36888 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
PRKX P51817 1/20 0.34
CDK5 Q00535 1/20 0.34
DYRK1A Q13627 1/20 0.34
PKN2 Q16513 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL28554375 1.00 MAPK1 (0.42) MAPK1CDK7CLK4CDC7DAPK3
SCHEMBL29707258 0.80 PIK3CD (0.41) CDK7CLK4CDC7DAPK3MAP4K4
SCHEMBL29707230 0.75 SMN1; SMN2 (0.38) KMOKDM4EAAK1
SCHEMBL28554980 0.75 SMN1; SMN2 (0.38) KMOKDM4EAAK1
SCHEMBL28550503 0.71 FLT3 (0.38) CDK7CLK4CDC7DAPK3MAP4K4
SCHEMBL29707229 0.71 FLT3 (0.38) CDK7CLK4CDC7DAPK3MAP4K4
SCHEMBL28554374 0.71 FLT3 (0.38) CDK7CLK4CDC7DAPK3MAP4K4
SCHEMBL29707252 0.71 FLT3 (0.38) CDK7CLK4CDC7DAPK3MAP4K4
SCHEMBL17804189 0.69 ABL1 (0.40) CDK7CLK4KDM4EABL1PDGFRA
SCHEMBL20662319 0.68 MAPK1 (0.43) MAPK1

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-112574211-B Heterocyclic kinase inhibitors 山东轩竹医药科技有限公司 2022-06-14 CN disclosed