SCHEMBL24577438

SCHEMBL24577438

Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57
▸ IRAK4 Q9NWZ3 12/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ POLQ O75417 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
SCHEMBL29759862 1.00 PDGFRA (0.57) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL30809578 0.94 PDGFRA (0.49) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL29759446 0.94 PDGFRA (0.49) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL24578084 0.94 PDGFRA (0.49) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL29759938 0.92 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4POLQ
SCHEMBL24577506 0.92 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4POLQ
SCHEMBL24577838 0.90 PDGFRA (0.58) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL29759575 0.90 PDGFRA (0.58) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL24578944 0.89 PDGFRA (0.43) PDGFRACHRM1HRH3IRAK4CCNT1
SCHEMBL29759978 0.89 PDGFRA (0.43) PDGFRACHRM1HRH3IRAK4CCNT1

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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