SCHEMBL28388525

SCHEMBL28388525

CN(C)CCOc1ccnc(-c2cccc3cnc(Nc4ccccc4N4CCOCC4)nc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.47
▸ TGFBR1 P36897 1/20 0.41
▸ JUN P05412 5/20 0.38
▸ MAPK8 P45983 5/20 0.38
▸ MAPK10 P53779 5/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ DCLK1 O15075 1/20 0.36
▸ MAPK7 Q13164 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL28384112 0.89 TTK (0.46) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL28382474 0.89 TTK (0.54) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL29847920 0.87 JUN (0.48) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL16823087 0.87 JUN (0.48) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL28887734 0.87 TTK (0.53) TTKJUNMAPK8MAPK10SCN5A
SCHEMBL28388501 0.87 TGFBR1 (0.40) TGFBR1TDP1SCN5ASCN9ASMN1; SMN2
SCHEMBL28388186 0.87 TTK (0.46) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL28384226 0.87 TTK (0.46) TTKJUNMAPK8MAPK10IGF1R
SCHEMBL16822852 0.85 FGFR2 (0.42) TTKTGFBR1JUNMAPK8MAPK10
SCHEMBL29847963 0.85 FGFR2 (0.42) TTKTGFBR1JUNMAPK8MAPK10

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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