SCHEMBL24579168

SCHEMBL24579168

Cc1cnn2cc(-c3cnn(C(C)(C)CO)c3)sc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.43
▸ KDM5B Q9UGL1 1/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR3 P22607 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
SCHEMBL24577563 0.83 KIT (0.40) KITKDM5BJAK2JAK1TYK2
SCHEMBL24577085 0.76 KIT (0.39) KITKDM5BJAK2JAK1TYK2
SCHEMBL24577874 0.75 FLT3 (0.38) KITJAK2JAK1TYK2
SCHEMBL24577209 0.72 JAK2 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL24577471 0.69 BACE1 (0.40) KDM5BJAK2
SCHEMBL24578878 0.69 KDR (0.38) —
SCHEMBL15382055 0.67 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL24578796 0.67 MAP4K1 (0.31) —
SCHEMBL14149258 0.66 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL24578525 0.66 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
Send feedback