SCHEMBL30809558

SCHEMBL30809558

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLQ O75417 1/20 0.37
▸ NTRK1 P04629 1/20 0.34
▸ IRAK4 Q9NWZ3 6/20 0.33
▸ KIT P10721 3/20 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
SCHEMBL30809482 0.90 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL29759584 0.90 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24577503 0.90 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL30809490 0.90 PDGFRA (0.44) PDGFRACHRM1HRH3POLQKIT
SCHEMBL30809510 0.89 PDGFRA (0.40) PDGFRACHRM1HRH3POLQIRAK4
SCHEMBL24577500 0.88 POLQ (0.42) PDGFRACHRM1HRH3POLQNTRK1
SCHEMBL29759942 0.88 POLQ (0.42) PDGFRACHRM1HRH3POLQNTRK1
SCHEMBL24576994 0.87 PDGFRA (0.45) PDGFRACHRM1HRH3POLQNTRK1
SCHEMBL29759492 0.87 PDGFRA (0.45) PDGFRACHRM1HRH3POLQNTRK1
SCHEMBL30809496 0.87 PDGFRA (0.42) PDGFRACHRM1HRH3POLQNTRK1

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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