SCHEMBL24577231

SCHEMBL24577231

Cc1ncc(NC(=O)CCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccc4c3cnn4C)sc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDR P35968 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ CSK P41240 1/20 0.31
▸ TRPV1 Q8NER1 2/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ PIM1 P11309 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
SCHEMBL29759669 1.00 PDGFRA (0.45) PDGFRACHRM1HRH3KDRMALT1
SCHEMBL24578251 0.88 KDR (0.37) PDGFRAKDRMALT1CSF1RKIT
SCHEMBL29759572 0.87 PDGFRA (0.60) PDGFRACHRM1HRH3KDRKIT
SCHEMBL24577277 0.87 PDGFRA (0.60) PDGFRACHRM1HRH3KDRKIT
SCHEMBL29759448 0.85 PDGFRA (0.46) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24577289 0.85 KDR (0.34) PDGFRACHRM1HRH3KDRMALT1
SCHEMBL29760036 0.85 KDR (0.34) PDGFRACHRM1HRH3KDRMALT1
SCHEMBL24577614 0.84 PDGFRA (0.54) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29759498 0.84 PDGFRA (0.54) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24576954 0.84 PDGFRA (0.47) PDGFRACHRM1HRH3MALT1CSF1R

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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