SCHEMBL30080407

SCHEMBL30080407

COC(=O)c1cccc(N2CC3(COC3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.45
▸ OGA O60502 1/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KIF18A Q8NI77 2/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL30080383 0.87 CRBN (0.55) CRBNHRH3OGAIRAK4CYP2D6
SCHEMBL1811182 0.86 CYP1A2 (0.55) CRBNHSD17B10ALDH1A1KIF18ANAPEPLD
SCHEMBL1813506 0.83 KDM4E (0.46) CRBNIRAK4CYP2D6HSD17B10CYP3A4
SCHEMBL27233932 0.82 KCNQ3 (0.39) CRBNCYP2D6HSD17B10CYP3A4ALDH1A1
SCHEMBL31661791 0.81 CRBN (0.54) CRBNHRH3OGAIRAK4CYP2D6
SCHEMBL22849533 0.80 IRAK4 (0.53) CRBNHRH3OGAIRAK4ALDH1A1
SCHEMBL31078811 0.80 IRAK4 (0.53) CRBNHRH3OGAIRAK4ALDH1A1
SCHEMBL20745105 0.79 CRBN (0.54) CRBNCYP2D6HSD17B10CYP3A4ALDH1A1
SCHEMBL14879861 0.77 HRH3 (0.58) CRBNHRH3OGAIRAK4CYP3A4
SCHEMBL25160920 0.77 SMO (0.39) CYP2D6HSD17B10CYP3A4ALDH1A1KCNQ3

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-112996783-B 2-aminopyrimidine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-11-18 — — CN disclosed
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