SCHEMBL29133760

SCHEMBL29133760

Cc1nc2ncc(-c3ccc4ncnc(NCCc5ccccc5)c4c3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
MAPK1 P28482 6/20 0.50
LMNA P02545 5/20 0.50
EGFR P00533 3/20 0.50
HTT P42858 3/20 0.50
CCNC P24863 1/20 0.50
CDKN1A P38936 1/20 0.50
CDK8 P49336 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
APP P05067 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 5/20 0.48
HSD17B10 Q99714 5/20 0.48
CYP2C19 P33261 4/20 0.48
HIF1A Q16665 4/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL29133714 0.81 SLC29A1 (0.60) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29775125 0.80 EGFR (0.60) DYRK1ALMNAEGFRPIK3CA
SCHEMBL24576523 0.80 EGFR (0.60) DYRK1ALMNAEGFRPIK3CA
SCHEMBL29133712 0.79 MAPK1 (0.55) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29133726 0.78 MAPK1 (0.61) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29133700 0.77 DYRK1A (0.56) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29133730 0.77 CLK4 (0.52) DYRK1AMAPK1LMNAEGFRHTT
Formamide SCHEMBL29133744 0.76 MAPK1 (0.51) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29133727 0.76 PIK3CA (0.65) DYRK1AMAPK1LMNAEGFRHTT
SCHEMBL29133751 0.76 EGFR (0.68) DYRK1AMAPK1LMNAEGFRHTT

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-117295716-A Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors 麦克尼斯迪克治疗有限公司 2023-12-26 CN disclosed