SCHEMBL24577708

SCHEMBL24577708

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)(F)F)c3)sc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ CHRM1 P11229 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL29759899 1.00 WNT1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL27185243 0.90 GSK3B (0.45) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL29759476 0.90 GSK3B (0.45) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL30897462 0.90 RIPK1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL24577739 0.90 RIPK1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL27184958 0.89 WNT1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL29759826 0.89 WNT1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL24577321 0.88 WNT1 (0.38) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL24577273 0.88 WNT1 (0.36) WNT1GSK3BDYRK1ACSF1RKIT
SCHEMBL30897451 0.88 WNT1 (0.38) WNT1GSK3BDYRK1ACSF1RKIT

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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