SCHEMBL24577614

SCHEMBL24577614

Cc1ncc(NC(=O)CCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ KIT P10721 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ WNT1 P04628 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ IKBKE Q14164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NTRK1 P04629 4/20 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
SCHEMBL29759498 1.00 PDGFRA (0.54) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759450 0.93 PDGFRA (0.53) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759626 0.93 PDGFRA (0.47) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24577660 0.93 PDGFRA (0.46) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759459 0.91 PDGFRA (0.46) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24577623 0.91 PDGFRA (0.46) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24577037 0.90 PDGFRA (0.60) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29759496 0.90 PDGFRA (0.60) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24576954 0.89 PDGFRA (0.47) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24578997 0.89 PDGFRA (0.52) PDGFRACHRM1HRH3KITCSF1R

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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