SCHEMBL27136355

SCHEMBL27136355

C=CC(=O)N1CCC2(CC1)CN(c1cc3c(Nc4cc(-c5ccco5)ccc4OC)ncnc3cc1OC)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.47
ERBB2 P04626 9/20 0.47
RIPK2 O43353 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
EPHB2 P29323 1/20 0.44
TEC P42680 1/20 0.44
EPHB4 P54760 1/20 0.44
EPHA4 P54764 1/20 0.44
BTK Q06187 1/20 0.44
KCNH2 Q12809 1/20 0.44
TNK1 Q13470 1/20 0.44
RIPK3 Q9Y572 1/20 0.44

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
SCHEMBL30031223 1.00 EGFR (0.47) EGFRERBB2RIPK2RETMET
SCHEMBL24714694 0.97 EGFR (0.46) EGFRERBB2
SCHEMBL30032234 0.97 EGFR (0.46) EGFRERBB2
SCHEMBL30030503 0.94 EGFR (0.46) EGFRERBB2
SCHEMBL24714968 0.94 EGFR (0.46) EGFRERBB2
SCHEMBL30030948 0.93 EGFR (0.45) EGFRERBB2
SCHEMBL24714089 0.93 EGFR (0.45) EGFRERBB2
SCHEMBL24714682 0.86 EGFR (0.55) EGFRERBB2RIPK2RETMET
SCHEMBL24715219 0.84 EGFR (0.50) EGFRERBB2RIPK2RETMET
SCHEMBL24714538 0.84 EGFR (0.53) EGFRERBB2

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