SCHEMBL30401356

SCHEMBL30401356

COc1ccc(CNc2ncnc3c(C(=O)Nc4c(C)ccc5c(Nc6cccc(Cl)c6F)nccc45)cc(OC)cc23)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.55
BRAF P15056 6/20 0.55
CSF1R P07333 3/20 0.55
DDR1 Q08345 3/20 0.55
DDR2 Q16832 3/20 0.55
ARAF P10398 1/20 0.55
EGFR P00533 10/20 0.43
AURKA O14965 3/20 0.42
RPS6KB1 P23443 2/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
AURKB Q96GD4 2/20 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
SCHEMBL24399613 1.00 RAF1 (0.55) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30401716 0.96 RAF1 (0.55) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30401297 0.96 RAF1 (0.55) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399716 0.96 RAF1 (0.55) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399560 0.96 RAF1 (0.55) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL25374139 0.94 RAF1 (0.56) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30402492 0.94 RAF1 (0.56) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399565 0.93 RAF1 (0.54) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL30401071 0.93 RAF1 (0.54) RAF1BRAFCSF1RDDR1DDR2
SCHEMBL24399732 0.92 RAF1 (0.54) 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