SCHEMBL28480978

SCHEMBL28480978

COc1cc2ncnc(Br)c2cc1OCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.65
KDM1A O60341 1/20 0.64
KDM4E B2RXH2 1/20 0.64
AURKA O14965 2/20 0.63
KDR P35968 8/20 0.62
EGFR P00533 6/20 0.62
FLT4 P35916 2/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
ABCC4 O15439 1/20 0.59
DAPK3 O43293 1/20 0.59
RIPK2 O43353 1/20 0.59
NR1I2 O75469 1/20 0.59
RPS6KA4 O75676 1/20 0.59
STK17B O94768 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59
MAP4K4 O95819 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
SCHEMBL5495221 0.88 SRC (0.66) SRCKDM1AKDM4EAURKAKDR
SCHEMBL13299046 0.88 AURKA (0.67) SRCKDM1AKDM4EAURKAKDR
SCHEMBL25281864 0.88 SRC (0.66) SRCKDM1AKDM4EAURKAKDR
SCHEMBL29478521 0.87 EGFR (0.67) SRCKDM1AKDM4EAURKAKDR
SCHEMBL3530275 0.87 EGFR (0.67) SRCKDM1AKDM4EAURKAKDR
SCHEMBL4428694 0.87 SRC (0.65) SRCKDM1AKDM4EAURKAKDR
SCHEMBL2770275 0.87 EGFR (0.67) SRCKDM1AKDM4EAURKAKDR
SCHEMBL29540227 0.87 SRC (0.65) SRCKDM1AKDM4EAURKAKDR
SCHEMBL4422710 0.87 SRC (0.65) SRCKDM1AKDM4EAURKAKDR
Hydrochloric Acid SCHEMBL27988367 0.86 EGFR (0.66) SRCKDM1AKDM4EAURKAKDR

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
CN-108727284-B Preparation method of gefitinib 鲁南制药集团股份有限公司 2020-10-27 CN disclosed