SCHEMBL28388156

SCHEMBL28388156

CN(C)CCOc1ccc(F)c(-c2cccc3c(N)nc(Nc4ccccc4N4CCOCC4)nc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB3 P21860 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ KIT P10721 1/20 0.35

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
SCHEMBL28388793 0.94 PIM1 (0.39) GAAL3MBTL1PIM1PIM2TDP1
SCHEMBL28383503 0.89 TTK (0.40) GAATDP1TSHRSMN1; SMN2PIK3CD
SCHEMBL28382505 0.89 MTOR (0.40) GAAL3MBTL1EGFRERBB3TSHR
SCHEMBL16514768 0.88 ERBB3 (0.42) PIM1PIM2EGFRERBB3SMN1; SMN2
SCHEMBL28388501 0.87 TGFBR1 (0.40) GAATDP1TSHRSMN1; SMN2PIK3CD
SCHEMBL28388186 0.87 TTK (0.46) GAAL3MBTL1EGFRERBB3SMN1; SMN2
SCHEMBL28386152 0.87 ERBB3 (0.36) GAAL3MBTL1TDP1EGFRERBB3
SCHEMBL16822831 0.85 AIMP2 (0.39) PIM1PIM2EGFRERBB3SMN1; SMN2
SCHEMBL28387213 0.83 MAPK1 (0.44) GAAPOLBTSHRSMN1; SMN2PIK3CD
SCHEMBL16514223 0.82 ERBB3 (0.42) PIM1PIM2EGFRERBB3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
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