SCHEMBL28498357

SCHEMBL28498357

COc1cc(Nc2cc(NC(=O)Nc3cc(OC)ccc3OC)ncn2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.66
FGFR1 P11362 2/20 0.66
ERBB3 P21860 5/20 0.65
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FGFR3 P22607 2/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49

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
SCHEMBL28497440 0.86 EGFR (0.60) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL374876 0.86 EGFR (0.71) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28489977 0.85 EGFR (0.60) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28495163 0.82 EGFR (0.58) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28498241 0.82 FGFR3 (0.69) EGFRFGFR1ERBB3MAPTFGFR3
SCHEMBL374616 0.81 FGFR3 (0.82) EGFRFGFR1ERBB3FGFR3
SCHEMBL28489979 0.81 EGFR (0.62) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL374803 0.80 FGFR3 (0.69) EGFRFGFR1ERBB3FGFR3TUBB4A
SCHEMBL28903919 0.80 EGFR (0.55) EGFRFGFR1ERBB3
SCHEMBL28260312 0.79 EGFR (1.00) EGFRFGFR1ERBB3MAPTSMN1; SMN2

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