SCHEMBL24579033

SCHEMBL24579033

Cc1ncc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C(C)(C)CO)c3)sc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ AR P10275 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CHRM1 P11229 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL29759686 1.00 KIT (0.33) KITCSF1RARKDRGSK3B
SCHEMBL27185325 0.91 KIT (0.35) KITCSF1RKDRCHRM1PDGFRA
SCHEMBL24579034 0.90 KIT (0.35) KITCSF1RKDRCHRM1PDGFRA
SCHEMBL24577084 0.88 IKBKE (0.37) KITCSF1RARGSK3BDYRK1A
SCHEMBL24576975 0.88 CSF1R (0.42) KITCSF1RGSK3BDYRK1ACHRM1
SCHEMBL29759653 0.88 CSF1R (0.42) KITCSF1RGSK3BDYRK1ACHRM1
SCHEMBL24579164 0.86 KIT (0.39) KITKDRCHRM1PDGFRAHRH3
SCHEMBL24577335 0.85 IKBKE (0.41) KITCSF1RARGSK3BDYRK1A
Hydrochloric Acid SCHEMBL29760043 0.85 KIT (0.38) KITKDRCHRM1PDGFRAHRH3
Hydrochloric Acid SCHEMBL27184986 0.85 KIT (0.38) KITKDRCHRM1PDGFRAHRH3

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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