SCHEMBL28604646

SCHEMBL28604646

Cn1cncc1-c1ccc(NC(=O)C(NC(=O)OC(C)(C)C)C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.46
▸ AAK1 Q2M2I8 4/20 0.44
▸ FPR2 P25090 5/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MMP13 P45452 3/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ NPR3 P17342 1/20 0.38
▸ PLAU P00749 2/20 0.38
▸ HPN P05981 2/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL28604647 1.00 GPR119 (0.46) GPR119AAK1FPR2IDO1MMP13
SCHEMBL28614617 0.99 GPR119 (0.45) GPR119AAK1FPR2IDO1MMP13
SCHEMBL28607177 0.98 GPR119 (0.46) GPR119AAK1FPR2IDO1MMP13
SCHEMBL29894943 0.89 IDO1 (0.42) GPR119AAK1IDO1MEN1KMT2A
SCHEMBL28602379 0.88 GPR119 (0.44) GPR119IDO1MMP13MEN1KMT2A
SCHEMBL24593712 0.84 AAK1 (0.51) AAK1FPR2MMP13
SCHEMBL22143607 0.84 AAK1 (0.51) AAK1FPR2MMP13
SCHEMBL24593713 0.84 AAK1 (0.51) AAK1FPR2MMP13
SCHEMBL28609000 0.84 CTSS (0.48) GPR119AAK1FPR2IDO1MEN1
SCHEMBL28606581 0.83 AAK1 (0.44) AAK1FPR2MMP13MEN1KMT2A

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
CN-113164448-A Amino acid anilines as small molecule modulators of IL-17 利奥制药有限公司 2021-07-23 — — CN disclosed
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