SCHEMBL24577085

SCHEMBL24577085

Cc1cnn2cc(-c3cnn(CCO)c3)sc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.39
▸ PDK2 Q15119 9/20 0.37
▸ KDM5B Q9UGL1 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ F9 P00740 1/20 0.31

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
SCHEMBL24577471 0.84 BACE1 (0.40) KDM5BJAK2FEN1NTRK1PIK3CA
SCHEMBL24577209 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL24577874 0.80 FLT3 (0.38) KITJAK2JAK1TYK2PIK3CA
SCHEMBL30566490 0.80 PDK2 (0.41) KITPDK2KDM5BJAK2JAK1
SCHEMBL24579168 0.76 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL29759768 0.72 IKBKE (0.42) KITJAK2TYK2MAP4K4NTRK1
Hydrochloric Acid SCHEMBL30566540 0.72 IKBKE (0.42) KITJAK2TYK2MAP4K4NTRK1
Hydrochloric Acid SCHEMBL27185082 0.72 IKBKE (0.42) KITJAK2TYK2MAP4K4NTRK1
SCHEMBL24578878 0.71 KDR (0.38) TGFBR1
SCHEMBL24578525 0.70 BRAF (0.30) —

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
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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