SCHEMBL24576954

SCHEMBL24576954

Cc1ncc(NC(=O)CCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3ccn(C)n3)sc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 3/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ MALT1 Q9UDY8 5/20 0.31
▸ NTRK1 P04629 3/20 0.31
▸ IKBKE Q14164 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 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
SCHEMBL29759441 1.00 PDGFRA (0.47) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL24577614 0.89 PDGFRA (0.54) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL29759498 0.89 PDGFRA (0.54) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL29759448 0.88 PDGFRA (0.46) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL24577274 0.87 PDGFRA (0.48) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL24576811 0.86 PDGFRA (0.65) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL29759428 0.86 PDGFRA (0.65) PDGFRACHRM1HRH3IRAK4KIT
SCHEMBL29759626 0.85 PDGFRA (0.47) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24577231 0.84 PDGFRA (0.45) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29759669 0.84 PDGFRA (0.45) PDGFRACHRM1HRH3CSF1RKIT

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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