SCHEMBL28497440

SCHEMBL28497440

CCc1ccc(Nc2cc(NC(=O)Nc3cc(OC)ccc3OC)ncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.60
▸ FGFR1 P11362 1/20 0.60
▸ ERBB3 P21860 6/20 0.58
▸ FGFR3 P22607 2/20 0.54
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL28498357 0.86 EGFR (0.66) EGFRFGFR1ERBB3FGFR3MEN1
SCHEMBL28489977 0.83 EGFR (0.60) EGFRFGFR1ERBB3FGFR3MEN1
SCHEMBL28498241 0.82 FGFR3 (0.69) EGFRFGFR1ERBB3FGFR3MEN1
SCHEMBL374876 0.82 EGFR (0.71) EGFRFGFR1ERBB3FGFR3MEN1
SCHEMBL374616 0.81 FGFR3 (0.82) EGFRFGFR1ERBB3FGFR3
SCHEMBL28489979 0.77 EGFR (0.62) EGFRFGFR1ERBB3MEN1KMT2A
SCHEMBL374803 0.76 FGFR3 (0.69) EGFRFGFR1ERBB3FGFR3
SCHEMBL28260312 0.75 EGFR (1.00) EGFRFGFR1ERBB3FGFR3MEN1
SCHEMBL374106 0.74 EGFR (0.67) EGFRFGFR1FGFR3
SCHEMBL582431 0.74 FGFR3 (0.71) EGFRFGFR1ERBB3FGFR3MEN1

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-109053592-B 1- (2, 5-dimethoxyphenyl) -3- (substituted pyrimidine-4-yl) urea compound and preparation and application thereof 温州医科大学 2020-12-04 — — CN disclosed
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