SCHEMBL24577652

SCHEMBL24577652

COCCn1nc(C)c(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CCN5CCC6(CC6)C5)cnc4C)c3s2)c1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL29759558 1.00 HDAC2 (0.32) HDAC2HDAC1NR3C1P2RY12CHRM1
SCHEMBL24577065 0.87 IKBKE (0.37) HDAC2HDAC1CHRM1PDGFRAHRH3
SCHEMBL29759924 0.87 IKBKE (0.37) HDAC2HDAC1CHRM1PDGFRAHRH3
SCHEMBL29759921 0.86 NR3C1 (0.34) NR3C1
SCHEMBL24577986 0.86 NR3C1 (0.34) NR3C1
SCHEMBL24577658 0.86 NR3C1 (0.31) NR3C1
SCHEMBL29759860 0.86 NR3C1 (0.31) NR3C1
SCHEMBL29759866 0.85 IKBKE (0.36) HDAC2HDAC1CHRM1PDGFRAHRH3
SCHEMBL24578771 0.84 PDGFRA (0.40) HDAC1CHRM1PDGFRAHRH3
SCHEMBL29759700 0.84 PDGFRA (0.40) HDAC1CHRM1PDGFRAHRH3

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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