SCHEMBL24399766

SCHEMBL24399766

CNc1c(C)ccc2c(Nc3cc(C#N)cc(C)c3F)nccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.46
▸ LCK P06239 7/20 0.46
▸ TEK Q02763 6/20 0.46
▸ KDR P35968 4/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ RAF1 P04049 6/20 0.36
▸ CSF1R P07333 5/20 0.36
▸ DDR1 Q08345 5/20 0.36
▸ DDR2 Q16832 5/20 0.36
▸ ARAF P10398 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL24399619 0.74 KDR (0.46) BRAFLCKTEKKDRRAF1
SCHEMBL30400458 0.72 BACE2 (0.39) BRAFLCKTEKKDRRAF1
SCHEMBL25374814 0.72 BACE2 (0.39) BRAFLCKTEKKDRRAF1
SCHEMBL24399737 0.70 KDR (0.40) BRAFLCKTEKKDRRAF1
SCHEMBL30402491 0.70 KDR (0.40) BRAFLCKTEKKDRRAF1
SCHEMBL24399759 0.69 BRAF (0.50) BRAFLCKTEKKDRMAPK14
SCHEMBL2517832 0.69 BRAF (0.77) BRAFLCKTEKKDRMAPK14
SCHEMBL25376024 0.68 PDGFRB (0.39) BRAFLCKTEKKDRALDH1A1
SCHEMBL2515737 0.67 BRAF (0.80) BRAFLCKTEKKDRMAPK14
SCHEMBL30401854 0.66 GPR119 (0.43) BRAFLCKTEKKDRALDH1A1

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
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 — — EP 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
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