SCHEMBL29623515

SCHEMBL29623515

C[C@@H](Nc1ncnc2cc(OC3CCCC3)c(NC(=O)C=CCN3CCOCC3)cc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
ERBB2 P04626 11/20 0.56
ERBB4 Q15303 10/20 0.56
JAK3 P52333 2/20 0.53
GAK O14976 1/20 0.49
RIPK2 O43353 1/20 0.49
NR1I2 O75469 1/20 0.49
LCK P06239 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SRC P12931 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
MC3R P41968 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
KCNH2 Q12809 1/20 0.49
RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL232373 1.00 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL232374 1.00 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL185491 1.00 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL1190783 0.99 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL1190781 0.99 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL1190779 0.99 EGFR (0.56) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30510440 0.93 EGFR (0.51) EGFRERBB2ERBB4JAK3
SCHEMBL252516 0.90 EGFR (0.58) EGFRERBB2ERBB4JAK3GAK
SCHEMBL1191562 0.90 EGFR (0.58) EGFRERBB2ERBB4JAK3GAK
SCHEMBL252515 0.90 EGFR (0.58) EGFRERBB2ERBB4JAK3GAK

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