SCHEMBL30809571

SCHEMBL30809571

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3NCCC4)sc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ IRAK4 Q9NWZ3 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
SCHEMBL27185047 0.88 POLQ (0.37) CCNT1CDK9CHRM1PDGFRAHRH3
SCHEMBL30566527 0.88 POLQ (0.37) CCNT1CDK9CHRM1PDGFRAHRH3
SCHEMBL29759444 0.86 IRAK4 (0.36) CCNT1CDK9CHRM1PDGFRAHRH3
SCHEMBL24577467 0.86 IRAK4 (0.33) CCNT1CDK9CHRM1PDGFRAHRH3
SCHEMBL29759586 0.86 IRAK4 (0.33) CCNT1CDK9CHRM1PDGFRAHRH3
SCHEMBL29759698 0.84 WNT1 (0.35) CHRM1PDGFRAHRH3IRAK4WNT1
SCHEMBL24579122 0.84 WNT1 (0.35) CHRM1PDGFRAHRH3IRAK4WNT1
SCHEMBL30897455 0.84 WNT1 (0.35) CHRM1PDGFRAHRH3IRAK4WNT1
SCHEMBL27185208 0.84 WNT1 (0.35) CHRM1PDGFRAHRH3IRAK4WNT1
SCHEMBL30897474 0.83 WNT1 (0.34) CHRM1PDGFRAHRH3IRAK4WNT1

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
WO-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO claimed
WO-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
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