SCHEMBL24714697

SCHEMBL24714697

COc1cc2ncnc(Nc3cc(-c4ccc(F)cc4F)ccc3OC)c2cc1NC(=O)/C(F)=C/[C@H]1CCCN1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.52
ERBB2 P04626 8/20 0.52
ABL1 P00519 1/20 0.45
PDGFRB P09619 1/20 0.45
SRC P12931 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT3 P36888 1/20 0.45
ERBB4 Q15303 1/20 0.45
KDR P35968 2/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 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
SCHEMBL27138422 1.00 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL30979951 1.00 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL27152038 1.00 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL27140098 1.00 EGFR (0.52) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL27136436 0.88 EGFR (0.61) EGFRERBB2SRCERBB4
SCHEMBL27136435 0.88 EGFR (0.61) EGFRERBB2SRCERBB4
SCHEMBL24714732 0.88 EGFR (0.43) EGFRERBB2KDRFGFR1FLT1
SCHEMBL30979940 0.86 EGFR (0.57) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL30820496 0.86 EGFR (0.57) EGFRERBB2ABL1PDGFRBSRC
SCHEMBL27136426 0.86 EGFR (0.57) EGFRERBB2ABL1PDGFRBSRC

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