SCHEMBL30809490

SCHEMBL30809490

Cc1ncc(C(=O)NCCN2CCCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ KIT P10721 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ STAT3 P40763 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CACNA1G O43497 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SMYD2 Q9NRG4 1/20 0.33

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
SCHEMBL29759492 0.93 PDGFRA (0.45) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL24576994 0.93 PDGFRA (0.45) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809550 0.92 PDGFRA (0.42) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809496 0.92 PDGFRA (0.42) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809503 0.91 PDGFRA (0.43) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809528 0.91 PDGFRA (0.41) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809543 0.91 PDGFRA (0.44) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809558 0.90 PDGFRA (0.41) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809529 0.89 PDGFRA (0.44) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809510 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3KITPOLQ

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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