SCHEMBL30401795

SCHEMBL30401795

COc1ccc(CNc2ncnc3c(C(=O)Nc4c(C)ccc5c(Cc6ccc(F)cc6)nccc45)csc23)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.49
BRAF P15056 9/20 0.49
CSF1R P07333 5/20 0.43
DDR1 Q08345 5/20 0.43
DDR2 Q16832 5/20 0.43
ARAF P10398 1/20 0.41
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C19 P33261 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 3/20 0.38
USP2 O75604 2/20 0.38
AURKA O14965 5/20 0.37
AURKB Q96GD4 4/20 0.37
RPS6KB1 P23443 3/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL25375338 1.00 RAF1 (0.49) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399573 0.96 RAF1 (0.54) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30402843 0.96 RAF1 (0.54) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30402026 0.93 RAF1 (0.49) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399586 0.93 RAF1 (0.49) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL25376849 0.93 RAF1 (0.48) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30400485 0.91 RAF1 (0.47) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399746 0.91 RAF1 (0.47) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL25376097 0.90 RAF1 (0.49) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30401718 0.90 RAF1 (0.49) RAF1BRAFCSF1RDDR1DDR2

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 1 patent. 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