SCHEMBL24577866

SCHEMBL24577866

COc1ccncc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC(C)(C)C4)cnc3C)c2s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 3/20 0.38
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ JAK2 O60674 6/20 0.34
▸ JAK1 P23458 6/20 0.34
▸ TYK2 P29597 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ IRAK4 Q9NWZ3 5/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL29759552 1.00 POLQ (0.38) POLQCCNT1CDK9JAK2JAK1
SCHEMBL27185027 0.94 POLQ (0.37) POLQCCNT1CDK9JAK2JAK1
SCHEMBL29759896 0.94 POLQ (0.37) POLQCCNT1CDK9JAK2JAK1
SCHEMBL30897452 0.89 L3MBTL1 (0.42) POLQJAK2JAK1IRAK4WNT3A
SCHEMBL27185115 0.89 L3MBTL1 (0.42) POLQJAK2JAK1IRAK4WNT3A
SCHEMBL27185117 0.89 L3MBTL1 (0.42) POLQJAK2JAK1IRAK4WNT3A
SCHEMBL29759792 0.88 IRAK4 (0.34) POLQJAK2JAK1TYK2JAK3
SCHEMBL24577300 0.88 IRAK4 (0.34) POLQJAK2JAK1TYK2JAK3
SCHEMBL30897515 0.87 WNT1 (0.34) WNT1GSK3BDYRK1A
SCHEMBL27185083 0.87 WNT1 (0.34) WNT1GSK3BDYRK1A

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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