SCHEMBL29623368

SCHEMBL29623368

COc1cc2ncn(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.61
RAF1 P04049 8/20 0.57
FLT3 P36888 6/20 0.54
MAPK14 Q16539 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
RIPK2 O43353 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
SCHEMBL19350893 1.00 BRAF (0.61) BRAFRAF1FLT3MAPK14MEN1
SCHEMBL29623754 0.88 FLT3 (0.61) RAF1FLT3MAPK14MEN1NPC1
SCHEMBL19350750 0.88 FLT3 (0.61) RAF1FLT3MAPK14MEN1NPC1
SCHEMBL19350833 0.88 RAF1 (0.64) BRAFRAF1FLT3MAPK14MEN1
SCHEMBL29623204 0.88 RAF1 (0.64) BRAFRAF1FLT3MAPK14MEN1
SCHEMBL29623298 0.88 RAF1 (0.64) BRAFRAF1FLT3MAPK14MEN1
SCHEMBL19350737 0.88 RAF1 (0.64) BRAFRAF1FLT3MAPK14MEN1
SCHEMBL19350883 0.85 FLT3 (0.56) RAF1FLT3MAPK14MEN1NPC1
SCHEMBL19350796 0.85 MAPK14 (0.67) RAF1FLT3MAPK14MEN1NPC1
SCHEMBL29623488 0.85 MAPK14 (0.67) RAF1FLT3MAPK14MEN1NPC1

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