SCHEMBL30809529

SCHEMBL30809529

Cc1ncc(C(=O)NCCN2CCCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)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 0.38
▸ POLQ O75417 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ STAT3 P40763 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CACNA1G O43497 1/20 0.32
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL29759545 0.93 PDGFRA (0.46) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL24577495 0.93 PDGFRA (0.46) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809539 0.92 PDGFRA (0.45) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809530 0.92 PDGFRA (0.43) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809478 0.92 PDGFRA (0.43) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL30809490 0.89 PDGFRA (0.44) PDGFRACHRM1HRH3KITPOLQ
SCHEMBL29759575 0.89 PDGFRA (0.58) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24577838 0.89 PDGFRA (0.58) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24578252 0.89 PDGFRA (0.51) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809450 0.89 PDGFRA (0.42) PDGFRACHRM1HRH3POLQIRAK4

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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