SCHEMBL24577359

SCHEMBL24577359

CC1CN(CC(=O)NC2=CNC(C)C(NC(=O)c3cnn4cc(Br)sc34)=C2)CC(CO)O1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ MAPK8 P45983 1/20 0.36
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 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
SCHEMBL24577394 0.89 POLB (0.33) POLBMAPK8
SCHEMBL24577325 0.88 WNT1 (0.39) POLBMAPK8WNT1GSK3BDYRK1A
SCHEMBL24577373 0.87 GSK3B (0.39) POLBMAPK8WNT1GSK3BDYRK1A
SCHEMBL24579106 0.85 RAB9A (0.34) POLBWNT1GSK3BDYRK1ALMNA
SCHEMBL24578957 0.85 RAB9A (0.34) POLBWNT1GSK3BDYRK1ASMN1; SMN2
SCHEMBL24577267 0.84 WNT1 (0.33) POLBWNT1GSK3BDYRK1A
SCHEMBL24579061 0.83 POLB (0.30) POLB
SCHEMBL24577557 0.82 — —
SCHEMBL24577380 0.81 — —
SCHEMBL24577048 0.81 WNT1 (0.31) 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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