SCHEMBL29382995

SCHEMBL29382995

[2H]c1cc2c(Nc3ccnc(-c4ccccc4F)c3)ncnc2cc1OC1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ EGFR P00533 4/20 0.40
▸ PIM1 P11309 4/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ KRAS P01116 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PRKCZ Q05513 1/20 0.34

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
SCHEMBL25258613 0.82 EGFR (0.44) METKDREGFRPIM1PIM3
SCHEMBL25663551 0.79 EGFR (0.55) KDREGFR
Trifluoroacetic Acid SCHEMBL25219982 0.76 EGFR (0.52) KDREGFR
SCHEMBL25373220 0.71 EGFR (0.47) METKDREGFRTGFBR1MAP4K4
SCHEMBL26055465 0.70 EGFR (0.47) METKDREGFRTGFBR1MAP4K4
SCHEMBL29383085 0.70 EGFR (0.60) METKDREGFRTGFBR1
SCHEMBL25663391 0.70 EGFR (0.51) KDREGFR
SCHEMBL30420449 0.70 EGFR (0.51) KDREGFR
SCHEMBL25663384 0.69 EGFR (0.50) KDREGFR
SCHEMBL25370899 0.69 EGFR (0.47) EGFR

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-2022033410-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
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