SCHEMBL30809539

SCHEMBL30809539

Cc1ncc(C(=O)NCCN2CCC3(CCO3)CC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ POLQ O75417 1/20 0.34
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL30809529 0.92 PDGFRA (0.44) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809503 0.91 PDGFRA (0.43) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24577495 0.90 PDGFRA (0.46) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL29759545 0.90 PDGFRA (0.46) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24577838 0.88 PDGFRA (0.58) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL29759575 0.88 PDGFRA (0.58) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809478 0.88 PDGFRA (0.43) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809530 0.88 PDGFRA (0.43) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24578252 0.88 PDGFRA (0.51) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809546 0.88 PDGFRA (0.51) 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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