SCHEMBL29623376

SCHEMBL29623376

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.53
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
RIPK2 O43353 1/20 0.52
RET P07949 4/20 0.49
CSF1R P07333 4/20 0.49
NTRK1 P04629 2/20 0.49
KDR P35968 2/20 0.49
KCNH2 Q12809 1/20 0.49
CCDC6 Q16204 1/20 0.49
FLT3 P36888 7/20 0.49
PDGFRB P09619 2/20 0.49
KIT P10721 2/20 0.49
PDGFRA P16234 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 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
SCHEMBL19350848 1.00 RAF1 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19350833 0.90 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29623204 0.90 RAF1 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29623393 0.89 RAF1 (0.55) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19350929 0.89 RAF1 (0.55) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19350789 0.89 RAF1 (0.54) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29623214 0.89 RAF1 (0.54) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29623613 0.87 MAPK14 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19350850 0.87 MAPK14 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL19350796 0.87 MAPK14 (0.67) RAF1MAPK14MAPK13MAPK12MAPK11

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 3 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
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