SCHEMBL24577464

SCHEMBL24577464

Cc1ncc(NC(=O)CN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.34
▸ WNT1 P04628 5/20 0.34
▸ GSK3B P49841 5/20 0.34
▸ DYRK1A Q13627 5/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24578250 0.99 WNT3A (0.34) WNT3AWNT1GSK3BDYRK1ACCNT1
SCHEMBL24577467 0.93 IRAK4 (0.33) WNT3AWNT1GSK3BDYRK1ACCNT1
SCHEMBL29759586 0.93 IRAK4 (0.33) WNT3AWNT1GSK3BDYRK1ACCNT1
SCHEMBL24579079 0.91 CCNT1 (0.35) CCNT1CDK9POLQRAF1BRAF
SCHEMBL29759708 0.91 CCNT1 (0.35) CCNT1CDK9POLQRAF1BRAF
SCHEMBL24577950 0.91 WNT3A (0.32) WNT3AWNT1GSK3BDYRK1ACCNT1
SCHEMBL29759805 0.91 WNT3A (0.32) WNT3AWNT1GSK3BDYRK1ACCNT1
SCHEMBL27184980 0.90 CCNT1 (0.35) CCNT1CDK9POLQRAF1BRAF
SCHEMBL24577425 0.90 CHRM1 (0.40) CCNT1CDK9RAF1BRAFHRH3
SCHEMBL24577462 0.90 HRH3 (0.39) WNT1GSK3BDYRK1ACCNT1CDK9

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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