SCHEMBL29623488

SCHEMBL29623488

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.67
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
FLT3 P36888 11/20 0.54
CSF1R P07333 5/20 0.54
RET P07949 4/20 0.54
PDGFRB P09619 2/20 0.54
KIT P10721 2/20 0.54
PDGFRA P16234 2/20 0.54
NTRK1 P04629 2/20 0.53
KDR P35968 1/20 0.53
KCNH2 Q12809 1/20 0.53
CCDC6 Q16204 1/20 0.53
RAF1 P04049 4/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51

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
SCHEMBL19350796 1.00 MAPK14 (0.67) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL20730386 0.93 MAPK14 (0.66) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL19350850 0.90 MAPK14 (0.56) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL29623613 0.90 MAPK14 (0.56) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL19350883 0.90 FLT3 (0.56) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL19350706 0.90 FLT3 (0.61) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL29623236 0.90 FLT3 (0.56) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL29623670 0.90 FLT3 (0.61) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL19350750 0.88 FLT3 (0.61) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL29623754 0.88 FLT3 (0.61) MAPK14NPC1RAB9AMEN1KMT2A

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