SCHEMBL30664376

SCHEMBL30664376

C/C(=N\NC(=O)c1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
EPHB6 O15197 1/20 0.46
ABL1 P00519 1/20 0.46
RAF1 P04049 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
EPHA1 P21709 1/20 0.46
EPHA2 P29317 1/20 0.46
WEE1 P30291 1/20 0.46
TGFBR2 P37173 1/20 0.46
ABL2 P42684 1/20 0.46
FRK P42685 1/20 0.46
MAP2K4 P45985 1/20 0.46
CLK1 P49759 1/20 0.46
LIMK1 P53667 1/20 0.46
EPHB4 P54760 1/20 0.46
DDR1 Q08345 1/20 0.46
MAP3K1 Q13233 1/20 0.46
DYRK1A Q13627 1/20 0.46
MYLK Q15746 1/20 0.46

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
SCHEMBL21836213 1.00 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836214 1.00 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836240 0.89 DYRK1A (0.49) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836237 0.89 DYRK1A (0.49) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836270 0.83 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836257 0.83 MAPK14 (0.47) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836247 0.83 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836249 0.83 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836267 0.83 BRAF (0.46) BRAFEPHB6ABL1RAF1PDGFRB
SCHEMBL21836258 0.83 MAPK14 (0.47) BRAFEPHB6ABL1RAF1PDGFRB

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-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 CN disclosed
CN-111032047-B Method for producing optically active compound 多特疗法-1公司 2023-10-27 CN disclosed