SCHEMBL27136436

SCHEMBL27136436

COc1cc2ncnc(Nc3cc(-c4ccc(F)cc4F)ccc3OC)c2cc1NC(=O)/C=C/C1CCCN1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.61
ERBB2 P04626 16/20 0.51
ERBB4 Q15303 3/20 0.48
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
NR1I2 O75469 1/20 0.48
LCK P06239 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
SRC P12931 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
MC3R P41968 1/20 0.48
JAK3 P52333 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
RIPK3 Q9Y572 1/20 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
SCHEMBL27136435 1.00 EGFR (0.61) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL30031460 0.92 EGFR (0.63) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL24714697 0.88 EGFR (0.52) EGFRERBB2ERBB4SRC
SCHEMBL27138422 0.88 EGFR (0.52) EGFRERBB2ERBB4SRC
SCHEMBL27140098 0.88 EGFR (0.52) EGFRERBB2ERBB4SRC
SCHEMBL27152038 0.88 EGFR (0.52) EGFRERBB2ERBB4SRC
SCHEMBL30979951 0.88 EGFR (0.52) EGFRERBB2ERBB4SRC
SCHEMBL30822063 0.84 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL24714632 0.84 EGFR (0.56) EGFRERBB2ERBB4JAK3
SCHEMBL27145363 0.84 EGFR (0.56) EGFRERBB2ERBB4JAK3

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
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP claimed