SCHEMBL24577470

SCHEMBL24577470

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)C[C@H]5CCN(C(C)C)C5)cnc4C)c3s2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 7/20 0.36
▸ TBK1 Q9UHD2 7/20 0.36
▸ USP30 Q70CQ3 2/20 0.34
▸ KAT5 Q92993 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ LIPC P11150 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ RET P07949 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL29759795 1.00 IKBKE (0.36) IKBKETBK1USP30KAT5KIT
SCHEMBL29759475 1.00 IKBKE (0.36) IKBKETBK1USP30KAT5KIT
SCHEMBL30566543 1.00 IKBKE (0.36) IKBKETBK1USP30KAT5KIT
SCHEMBL24577578 1.00 IKBKE (0.36) IKBKETBK1USP30KAT5KIT
SCHEMBL24577720 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R
SCHEMBL24577577 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R
SCHEMBL29759770 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R
SCHEMBL29760106 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R
SCHEMBL30566605 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R
SCHEMBL27185042 0.91 GSK3B (0.38) USP30KITGSK3BDYRK1ACSF1R

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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