SCHEMBL24577877

SCHEMBL24577877

Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ HRH3 Q9Y5N1 1/20 0.73
▸ KIT P10721 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ HDAC1 Q13547 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MARK3 P27448 1/20 0.30
▸ USP30 Q70CQ3 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
SCHEMBL29759503 1.00 PDGFRA (0.73) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL29759729 0.93 PDGFRA (0.64) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL29759485 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577033 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL29759491 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577609 0.93 PDGFRA (0.63) PDGFRACHRM1HRH3KITIRAK4
SCHEMBL24577956 0.92 PDGFRA (0.64) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL29760038 0.92 PDGFRA (0.64) PDGFRACHRM1HRH3KITCSF1R
SCHEMBL24576916 0.92 PDGFRA (0.62) PDGFRACHRM1HRH3
SCHEMBL29759515 0.92 PDGFRA (0.62) PDGFRACHRM1HRH3

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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