SCHEMBL29623374

SCHEMBL29623374

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
FLT3 P36888 16/20 0.62
AURKA O14965 1/20 0.59
KDR P35968 1/20 0.59
AURKB Q96GD4 1/20 0.59
CSF1R P07333 5/20 0.58
RET P07949 3/20 0.58
PDGFRB P09619 3/20 0.58
KIT P10721 3/20 0.58
PDGFRA P16234 3/20 0.58
MAPK14 Q16539 2/20 0.58
MAPK13 O15264 1/20 0.58
RAF1 P04049 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58

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
SCHEMBL19350810 1.00 MEN1 (0.63) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL29623488 0.88 MAPK14 (0.67) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL19350706 0.88 FLT3 (0.61) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL29623670 0.88 FLT3 (0.61) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL19350883 0.88 FLT3 (0.56) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL29623236 0.88 FLT3 (0.56) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL19350796 0.88 MAPK14 (0.67) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL19350750 0.88 FLT3 (0.61) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL29623754 0.88 FLT3 (0.61) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL20730386 0.87 MAPK14 (0.66) MEN1NPC1RAB9AKMT2AFLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN claimed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed