SCHEMBL24714050

SCHEMBL24714050

CCC(CC)Oc1cc2c(Nc3cc(-c4ccco4)ccc3OC3CCOC3)ncnc2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
ERBB2 P04626 2/20 0.50
EPHA2 P29317 2/20 0.50
EPHB4 P54760 2/20 0.50
EGFR P00533 11/20 0.46
SOS1 Q07889 2/20 0.43
SRC P12931 3/20 0.43
KRAS P01116 1/20 0.42
MAPK1 P28482 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL24714692 0.94 KDR (0.47) KDRERBB2EPHA2EPHB4EGFR
SCHEMBL24714641 0.89 EGFR (0.56) KDREGFRSRCMAPK1
SCHEMBL24714943 0.88 EGFR (0.56) KDREGFRSRCMAPK1
SCHEMBL24714929 0.85 EGFR (0.54) KDREGFRMAPK1
SCHEMBL24713875 0.84 EGFR (0.55) KDREGFRMAPK1
SCHEMBL24714715 0.83 EGFR (0.53) KDREGFRSRCMAPK1
SCHEMBL30032472 0.81 EGFR (0.65) ERBB2EPHB4EGFR
SCHEMBL30031569 0.81 EGFR (0.61) ERBB2EGFR
SCHEMBL24714051 0.81 EGFR (0.65) ERBB2EPHB4EGFR
SCHEMBL27148255 0.81 EGFR (0.61) ERBB2EGFR

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
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 WO disclosed