SCHEMBL28118781

SCHEMBL28118781

c1ccc(Nc2nccc(N3CCOCC3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 4/20 0.70
▸ PLK4 O00444 5/20 0.68
▸ OGA O60502 1/20 0.64
▸ JAK2 O60674 3/20 0.63
▸ LMNA P02545 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ IGF1R P08069 1/20 0.54
▸ AURKA O14965 2/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ FLT3 P36888 2/20 0.53
▸ NR2C2 P49116 1/20 0.53
▸ TAB1 Q15750 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPK8 P45983 1/20 0.53

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
SCHEMBL28085067 0.89 PLK4 (0.68) PLK4JAK2IGF1RAURKAAURKB
SCHEMBL2376107 0.88 SMG1 (0.56) SMG1PLK4OGAJAK2LMNA
SCHEMBL22860794 0.83 POLB (0.61) SMG1AURKACDK1CDK2ALDH1A1
SCHEMBL24426184 0.83 JAK2 (0.81) PLK4JAK2AURKAFLT3KDM4E
SCHEMBL13648583 0.81 JAK2 (0.75) SMG1JAK2CDK1CDK2FLT3
SCHEMBL2374456 0.80 PLK4 (0.60) PLK4JAK2IGF1RAURKAAURKB
SCHEMBL31681842 0.80 PLK4 (0.60) PLK4JAK2IGF1RAURKAAURKB
SCHEMBL3811303 0.79 OGA (0.59) SMG1PLK4OGAJAK2LMNA
SCHEMBL9678255 0.79 OGA (0.59) SMG1PLK4OGAJAK2FLT3
SCHEMBL7260518 0.78 SMG1 (0.52) SMG1PLK4OGAJAK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316963-B Polymorphs of a morpholino phenylaminopyrimidine compound or salt thereof 苏州泽璟生物制药股份有限公司 2021-06-08 — — CN disclosed
CN-106316963-B Polymorphs of a morpholino phenylaminopyrimidine compound or salt thereof 苏州泽璟生物制药股份有限公司 2021-06-08 — — CN disclosed
CN-106316963-B Polymorphs of a morpholino phenylaminopyrimidine compound or salt thereof 苏州泽璟生物制药股份有限公司 2021-06-08 — — CN disclosed
CN-106316963-A Polymorphic substances of morpholinophenylaminopyrimidine compound or salts thereof 苏州泽璟生物制药有限公司 2017-01-11 — — CN disclosed
CN-106316963-A Polymorphic substances of morpholinophenylaminopyrimidine compound or salts thereof 苏州泽璟生物制药有限公司 2017-01-11 — — CN disclosed
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