SCHEMBL29623503

SCHEMBL29623503

CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.82
ERBB2 P04626 16/20 0.82
GAK O14976 2/20 0.75
ABL1 P00519 2/20 0.75
LCK P06239 2/20 0.75
MET P08581 2/20 0.75
PHKG2 P15735 2/20 0.75
BLK P51451 2/20 0.75
IRAK1 P51617 2/20 0.75
DYRK1A Q13627 2/20 0.75
ERBB4 Q15303 2/20 0.75
HIPK4 Q8NE63 2/20 0.75
EPHA6 Q9UF33 2/20 0.75
CIT O14578 1/20 0.75
EPHB6 O15197 1/20 0.75
RIPK2 O43353 1/20 0.75
STK10 O94804 1/20 0.75
LYN P07948 1/20 0.75
RET P07949 1/20 0.75
CHRM2 P08172 1/20 0.75

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
SCHEMBL231276 1.00 EGFR (0.82) EGFRERBB2GAKABL1LCK
SCHEMBL185736 1.00 EGFR (0.82) EGFRERBB2GAKABL1LCK
SCHEMBL3588596 0.97 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL3581137 0.97 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL3581135 0.97 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL3588595 0.97 EGFR (0.80) EGFRERBB2GAKABL1LCK
SCHEMBL3581642 0.96 EGFR (0.79) EGFRERBB2GAKABL1LCK
SCHEMBL3581638 0.96 EGFR (0.79) EGFRERBB2GAKABL1LCK
SCHEMBL1191414 0.95 EGFR (0.81) EGFRERBB2GAKABL1LCK
SCHEMBL3577826 0.94 EGFR (0.73) EGFRERBB2GAKABL1LCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed