SCHEMBL24577397

SCHEMBL24577397

Cc1ncc(NC(=O)CN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 2/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ CHRM1 P11229 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ WNT1 P04628 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ GPR6 P46095 2/20 0.32
▸ WNT3A P56704 1/20 0.31
▸ OGA O60502 2/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL27185013 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL29759540 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL29760033 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL24577376 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL29759526 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL27184973 0.99 POLQ (0.37) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL29759444 0.93 IRAK4 (0.36) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL24579115 0.93 POLQ (0.35) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL29759754 0.93 POLQ (0.35) POLQIRAK4CHRM1PDGFRAHRH3
SCHEMBL24577390 0.92 IRAK4 (0.35) POLQIRAK4CHRM1PDGFRAHRH3

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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