SCHEMBL24576833

SCHEMBL24576833

Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ HRH3 Q9Y5N1 1/20 0.67
▸ KIT P10721 1/20 0.32
▸ FASN P49327 3/20 0.31
▸ IRAK4 Q9NWZ3 10/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL29759536 1.00 PDGFRA (0.67) PDGFRACHRM1HRH3KITFASN
SCHEMBL30809551 0.92 PDGFRA (0.57) PDGFRACHRM1HRH3KITFASN
SCHEMBL29760153 0.89 PDGFRA (0.54) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577090 0.89 PDGFRA (0.54) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577877 0.89 PDGFRA (0.73) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL29759503 0.89 PDGFRA (0.73) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577956 0.88 PDGFRA (0.64) PDGFRACHRM1HRH3KIT
SCHEMBL29760038 0.88 PDGFRA (0.64) PDGFRACHRM1HRH3KIT
SCHEMBL29760108 0.88 PDGFRA (0.62) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577235 0.88 PDGFRA (0.64) PDGFRACHRM1HRH3KIT

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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