SCHEMBL30809586

SCHEMBL30809586

Cc1ncc(C(=O)NCCN2CCCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cnn(CCO)c3)sc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ KIT P10721 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
SCHEMBL30809476 0.95 PDGFRA (0.54) PDGFRACHRM1HRH3KIT
SCHEMBL29759729 0.93 PDGFRA (0.64) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577609 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL29759491 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL24577033 0.92 PDGFRA (0.63) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL29759485 0.92 PDGFRA (0.63) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL24577060 0.88 PDGFRA (0.61) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL30809483 0.88 PDGFRA (0.54) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL29759674 0.88 PDGFRA (0.61) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL24578395 0.86 PDGFRA (0.59) PDGFRACHRM1HRH3

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO claimed
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