SCHEMBL24577563

SCHEMBL24577563

CC(=O)c1cnn2cc(-c3cnn(C(C)(C)CO)c3)sc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.40
▸ KDM5B Q9UGL1 1/20 0.37
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ABL1 P00519 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 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
SCHEMBL24577782 0.84 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL24579168 0.83 KIT (0.43) KITKDM5BJAK2JAK1TYK2
SCHEMBL24576968 0.79 BRD4 (0.41) PTGS1PTGS2
SCHEMBL24579164 0.77 KIT (0.39) KITKDM5BFGFR1FGFR2FGFR3
SCHEMBL24579034 0.77 KIT (0.35) KITKDM5BKDR
SCHEMBL24577992 0.74 IKBKE (0.42) KDM5BABL1
SCHEMBL24578202 0.73 CDC7 (0.35) PTGS1PTGS2ABL1KDR
SCHEMBL24578249 0.72 KDM4E (0.43) KITABL1
SCHEMBL24577338 0.69 HDAC6 (0.39) KIT
SCHEMBL24578329 0.68 MAPT (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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