SCHEMBL29759697

SCHEMBL29759697

Cc1ncc(NC(=O)CCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ OGA O60502 10/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL24577035 0.92 WNT1 (0.34) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29759703 0.92 WNT1 (0.34) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29759593 0.89 SIGMAR1 (0.36) CHRM1PDGFRAHRH3OGAWNT1
SCHEMBL24576943 0.89 SIGMAR1 (0.36) CHRM1PDGFRAHRH3OGAWNT1
SCHEMBL29759700 0.89 PDGFRA (0.40) CHRM1PDGFRAHRH3CSF1RKIT
SCHEMBL24578771 0.89 PDGFRA (0.40) CHRM1PDGFRAHRH3CSF1RKIT
SCHEMBL24577897 0.89 WNT1 (0.39) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29759637 0.89 WNT1 (0.39) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29759639 0.85 CHRM1 (0.36) CHRM1PDGFRAHRH3CSF1RKIT
SCHEMBL24577065 0.85 IKBKE (0.37) CHRM1PDGFRAHRH3CSF1RKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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