SCHEMBL24578949

SCHEMBL24578949

Cc1cc(C(=O)NCCN2CCC(O)C2)sc1NC(=O)c1cnn2cc(-c3cnn(C)c3)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
▸ MARK3 P27448 5/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ DYRK1A Q13627 4/20 0.34
▸ WNT1 P04628 3/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.32
▸ IRAK1 P51617 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
SCHEMBL24577243 1.00 CHRM1 (0.35) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24577940 1.00 CHRM1 (0.35) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24577196 0.96 CHRM1 (0.36) CHRM1PDGFRAHRH3MARK3NTRK1
SCHEMBL24577250 0.95 NTRK1 (0.37) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24577938 0.90 CHRM1 (0.34) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24577246 0.89 KIT (0.40) CHRM1PDGFRAHRH3MARK3
SCHEMBL24577253 0.88 ACKR3 (0.39) CHRM1PDGFRAHRH3MARK3JAK2
SCHEMBL24578906 0.86 CHRM1 (0.39) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24578970 0.86 CHRM1 (0.38) CHRM1PDGFRAHRH3MARK3GSK3B
SCHEMBL24577851 0.85 CHRM1 (0.38) CHRM1PDGFRAHRH3MARK3GSK3B

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
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN 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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