SCHEMBL29623613

SCHEMBL29623613

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4cc(C(F)(F)F)ccc43)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
KDR P35968 2/20 0.56
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
FLT3 P36888 13/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
CSF1R P07333 5/20 0.52
RET P07949 4/20 0.52
PDGFRB P09619 2/20 0.52
KIT P10721 2/20 0.52
PDGFRA P16234 2/20 0.52
NTRK1 P04629 2/20 0.52
KCNH2 Q12809 1/20 0.52
CCDC6 Q16204 1/20 0.52
RAF1 P04049 2/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 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
SCHEMBL19350850 1.00 MAPK14 (0.56) MAPK14KDRAURKAAURKBFLT3
SCHEMBL29623488 0.90 MAPK14 (0.67) MAPK14KDRFLT3MEN1NPC1
SCHEMBL19350796 0.90 MAPK14 (0.67) MAPK14KDRFLT3MEN1NPC1
SCHEMBL19350883 0.89 FLT3 (0.56) MAPK14KDRFLT3MEN1NPC1
SCHEMBL29623670 0.89 FLT3 (0.61) MAPK14KDRFLT3MEN1NPC1
SCHEMBL29623236 0.89 FLT3 (0.56) MAPK14KDRFLT3MEN1NPC1
SCHEMBL19350706 0.89 FLT3 (0.61) MAPK14KDRFLT3MEN1NPC1
SCHEMBL19350848 0.87 RAF1 (0.53) MAPK14KDRFLT3MEN1NPC1
SCHEMBL29623376 0.87 RAF1 (0.53) MAPK14KDRFLT3MEN1NPC1
SCHEMBL19350858 0.87 MAPK14 (0.56) MAPK14FLT3MEN1NPC1RAB9A

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
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
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