SCHEMBL24714972

SCHEMBL24714972

COc1cc2ncnc(Nc3cc(-c4ccc(F)cc4F)ccc3OC)c2cc1NC(=O)/C=C/CN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.60
ERBB2 P04626 16/20 0.60
ERBB4 Q15303 9/20 0.60
JAK3 P52333 2/20 0.59
GAK O14976 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
LCK P06239 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
SRC P12931 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A2 P23975 1/20 0.59
MC3R P41968 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
RIPK3 Q9Y572 1/20 0.59

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
SCHEMBL30031056 1.00 EGFR (0.60) EGFRERBB2ERBB4JAK3GAK
SCHEMBL27139095 0.92 EGFR (0.60) EGFRERBB2ERBB4JAK3GAK
SCHEMBL27139767 0.86 EGFR (0.52) EGFRERBB2ERBB4JAK3GAK
SCHEMBL24714928 0.85 EGFR (0.57) EGFRERBB2ERBB4JAK3GAK
SCHEMBL24714969 0.82 EGFR (0.63) EGFRSRC
SCHEMBL30115324 0.82 EGFR (0.88) EGFRERBB2ERBB4JAK3GAK
SCHEMBL22277127 0.82 EGFR (0.88) EGFRERBB2ERBB4JAK3GAK
SCHEMBL27136435 0.81 EGFR (0.61) EGFRERBB2ERBB4JAK3GAK
SCHEMBL27136436 0.81 EGFR (0.61) EGFRERBB2ERBB4JAK3GAK
SCHEMBL14066626 0.80 EGFR (0.87) 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
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP claimed
EP-4328222-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2024-02-28 EP disclosed
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed