SCHEMBL27136359

SCHEMBL27136359

C=CC(=O)Nc1cc2c(Nc3cc(-c4ccco4)ccc3OC)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.67
ERBB2 P04626 4/20 0.65
SRC P12931 6/20 0.62
KDR P35968 5/20 0.62
KIT P10721 2/20 0.62
ERBB3 P21860 2/20 0.62
ERBB4 Q15303 2/20 0.62
LCK P06239 2/20 0.62
FYN P06241 2/20 0.62
RET P07949 2/20 0.62
MET P08581 2/20 0.62
PDGFRA P16234 2/20 0.62
LTK P29376 2/20 0.62
MAP2K2 P36507 2/20 0.62
MAP2K1 Q02750 2/20 0.62
BTK Q06187 2/20 0.62
TYRO3 Q06418 2/20 0.62
AURKB Q96GD4 2/20 0.62
MAP4K5 Q9Y4K4 2/20 0.62
BMPR1B O00238 1/20 0.62

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
SCHEMBL30822099 1.00 EGFR (0.67) EGFRERBB2SRCKDRKIT
SCHEMBL30822056 0.97 EGFR (0.70) EGFRERBB2SRCKDRKIT
SCHEMBL27136117 0.97 EGFR (0.70) EGFRERBB2SRCKDRKIT
SCHEMBL24715214 0.89 EGFR (0.56) EGFRERBB2SRCKDRLCK
SCHEMBL27140994 0.88 EGFR (0.57) EGFRKDR
SCHEMBL30822103 0.88 EGFR (0.57) EGFRKDR
SCHEMBL30822061 0.88 EGFR (0.55) EGFRERBB2SRCKDR
SCHEMBL27138493 0.88 EGFR (0.55) EGFRERBB2SRCKDR
SCHEMBL24714517 0.87 EGFR (0.62) EGFRKDR
SCHEMBL30822073 0.87 EGFR (0.62) EGFRKDR

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 2 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