SCHEMBL29707258

SCHEMBL29707258

Clc1cc(-c2ccn3ccnc3c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
KDR P35968 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.39
DYRK1A Q13627 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CDK8 P49336 2/20 0.38
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 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
SCHEMBL29707256 0.80 MAPK1 (0.42) ABL1DYRK1ACLK4CDK8CDC7
SCHEMBL28554375 0.80 MAPK1 (0.42) ABL1DYRK1ACLK4CDK8CDC7
SCHEMBL3194422 0.79 PIK3C3 (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL29707230 0.77 SMN1; SMN2 (0.38) KMOAAK1ALDH1A1
SCHEMBL28554980 0.77 SMN1; SMN2 (0.38) KMOAAK1ALDH1A1
SCHEMBL14826051 0.74 PIK3C3 (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL29790293 0.74
SCHEMBL21364619 0.73 PIK3C3 (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL9380855 0.73 PIK3C3 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL3189520 0.72 KDM4E (0.43) PIK3CDABL1EGFRHCKSRC

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