SCHEMBL31648907

SCHEMBL31648907

CCc1nc([C@H](C)NC(=O)OC(C)(C)C)n(-c2ncc(Br)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACACB O00763 2/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL31648673 0.86 AAK1 (0.40) AAK1KMT2AMEN1TRPA1FPR2
SCHEMBL31649175 0.84 L3MBTL1 (0.35) L3MBTL1ACACB
SCHEMBL31648949 0.82 ACACB (0.36) AAK1KMT2AMEN1TRPA1TSHR
SCHEMBL31396375 0.81 AAK1 (0.39) AAK1KMT2AMEN1TRPA1TSHR
SCHEMBL31648837 0.77 HRH3 (0.35) KMT2AALDH1A1L3MBTL1TRPA1TSHR
SCHEMBL23213546 0.77 KMT2A (0.36) AAK1KMT2AMEN1ALDH1A1TRPA1
SCHEMBL28785601 0.77 KMT2A (0.36) AAK1KMT2AMEN1ALDH1A1TRPA1
SCHEMBL31648825 0.77 SYK (0.35) AAK1ALDH1A1L3MBTL1TRPA1
SCHEMBL31649003 0.75 TRPA1 (0.44) AAK1KMT2AMEN1TRPA1FPR2
SCHEMBL31648622 0.75 KMT2A (0.35) AAK1KMT2AALDH1A1L3MBTL1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132758-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 — — WO disclosed
WO-2025132754-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 — — WO disclosed
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