SCHEMBL30809540

SCHEMBL30809540

Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccc(F)n3)sc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ NTRK1 P04629 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PIM1 P11309 1/20 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
SCHEMBL30809569 0.88 PDGFRA (0.46) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL30809506 0.87 PDGFRA (0.44) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL30809509 0.86 PDGFRA (0.42) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29759450 0.85 PDGFRA (0.53) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29760161 0.84 PDGFRA (0.46) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24577404 0.83 PDGFRA (0.45) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29760148 0.83 PDGFRA (0.45) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24579030 0.83 CHRM1 (0.41) PDGFRACHRM1HRH3NTRK1JAK2
SCHEMBL24577428 0.82 PDGFRA (0.46) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL30809445 0.82 PDGFRA (0.43) PDGFRACHRM1HRH3KITJAK2

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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