SCHEMBL29638541

SCHEMBL29638541

COc1ccc(F)c(Nc2nccc3c(NC(=O)c4cccc5c(N)ncnc45)c(C)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.58
RAF1 P04049 9/20 0.58
CSF1R P07333 5/20 0.55
DDR1 Q08345 5/20 0.55
DDR2 Q16832 5/20 0.55
ARAF P10398 1/20 0.55
ERN1 O75460 2/20 0.43
RPS6KB1 P23443 2/20 0.41
AURKA O14965 3/20 0.40
AURKB Q96GD4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL24399692 1.00 BRAF (0.58) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL25373629 0.94 BRAF (0.58) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638476 0.94 BRAF (0.58) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638560 0.91 BRAF (0.58) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL25376864 0.91 BRAF (0.58) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL24399765 0.90 BRAF (0.61) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638625 0.90 BRAF (0.61) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL24399645 0.89 BRAF (0.57) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638486 0.89 BRAF (0.57) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL25375879 0.89 BRAF (0.60) BRAFRAF1CSF1RDDR1DDR2

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-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed