SCHEMBL24577155

SCHEMBL24577155

CC1=CNC(C)C(NC(=O)c2cnn3cc(-c4ccncc4)sc23)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.34
▸ TBK1 Q9UHD2 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL24577132 0.91 NAMPT (0.38) IRAK4MAPTRXFP1KDM4ENAMPT
SCHEMBL24577112 0.86 HDAC6 (0.34) IKBKETBK1IRAK4MAPTRXFP1
SCHEMBL24577993 0.85 MAPT (0.31) MAPTRXFP1LMNA
SCHEMBL24579097 0.82 HDAC6 (0.36) IRAK4HDAC6TYK2MEN1KMT2A
SCHEMBL24579014 0.82 — —
SCHEMBL24577174 0.82 IKBKE (0.38) IKBKETBK1
SCHEMBL24577143 0.81 KMT2A (0.33) MEN1KMT2A
SCHEMBL24578874 0.81 IKBKE (0.40) IKBKETBK1HDAC1HDAC6
SCHEMBL24578879 0.80 PDE3B (0.33) —
SCHEMBL24577685 0.77 IRAK4 (0.39) IKBKETBK1IRAK4LMNAEPHB3

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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