SCHEMBL24577200

SCHEMBL24577200

CC1NC=C(C=O)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CLK2 P49760 3/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL24577112 0.90 HDAC6 (0.34) HDAC6CLK2LRRK2IKBKETBK1
SCHEMBL24577970 0.80 WNT1 (0.34) —
SCHEMBL24576978 0.80 GSK3B (0.41) —
SCHEMBL24577632 0.80 GSK3B (0.41) —
SCHEMBL24578853 0.80 KIT (0.34) CLK2USP30
SCHEMBL24577551 0.79 GSK3B (0.44) CLK2LRRK2USP30
SCHEMBL24577174 0.78 IKBKE (0.38) IKBKETBK1BRD4
SCHEMBL24578874 0.77 IKBKE (0.40) HDAC6IKBKETBK1USP30
SCHEMBL24577155 0.77 IKBKE (0.34) HDAC6IKBKETBK1IRAK4
SCHEMBL24576968 0.74 BRD4 (0.41) HDAC6IKBKETBK1USP30BRD4

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
Send feedback