SCHEMBL30809572

SCHEMBL30809572

Cc1ncc(N)cc1NC(=O)c1cnn2cc(-c3ccc(F)nc3)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.35
▸ TBK1 Q9UHD2 2/20 0.35
▸ JAK2 O60674 6/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ TYK2 P29597 4/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33

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
SCHEMBL24576970 0.85 PDGFRA (0.41) IKBKETBK1JAK2JAK1JAK3
SCHEMBL30809541 0.84 PDGFRA (0.35) BLKBTKCHRM1PDGFRAHRH3
Hydrochloric Acid SCHEMBL29759908 0.84 PDGFRA (0.41) IKBKETBK1JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL29759944 0.84 IKBKE (0.36) IKBKETBK1JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL27185341 0.84 IKBKE (0.36) IKBKETBK1JAK2JAK1JAK3
SCHEMBL30809567 0.83 CSF1R (0.34) CHRM1PDGFRAHRH3PIK3C3IRAK4
SCHEMBL30809568 0.83 CSF1R (0.34) CHRM1PDGFRAHRH3PIK3C3IRAK4
SCHEMBL29759768 0.82 IKBKE (0.42) IKBKETBK1JAK2TYK2KCNH2
SCHEMBL24577098 0.82 IKBKE (0.42) IKBKETBK1JAK2TYK2KCNH2
SCHEMBL24578020 0.81 IRAK4 (0.36) JAK2JAK1JAK3TYK2CHRM1

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO disclosed
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