SCHEMBL28489979

SCHEMBL28489979

COc1ccc(OC)c(NC(=O)Nc2cc(Nc3ccc(C)cc3F)ncn2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.62
FGFR1 P11362 1/20 0.62
ERBB3 P21860 3/20 0.54
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
GAA P10253 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HSP90AA1 P07900 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL28489977 0.84 EGFR (0.60) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28498357 0.81 EGFR (0.66) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28497440 0.77 EGFR (0.60) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL374876 0.77 EGFR (0.71) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL28260312 0.76 EGFR (1.00) EGFRFGFR1ERBB3MAPTSMN1; SMN2
SCHEMBL19427718 0.73 MAPT (0.79) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28498241 0.73 FGFR3 (0.69) EGFRFGFR1ERBB3MAPTMEN1
SCHEMBL374616 0.72 FGFR3 (0.82) EGFRFGFR1ERBB3
SCHEMBL374803 0.71 FGFR3 (0.69) EGFRFGFR1ERBB3
SCHEMBL19427489 0.71 MAPT (0.71) MAPTSMN1; SMN2KDM4EMEN1KMT2A

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