SCHEMBL28569682

SCHEMBL28569682

COc1nc(=O)[nH]c2nccnc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 0.40
CDK1 P06493 11/20 0.40
CCNB1 P14635 11/20 0.40
GSK3A P49840 11/20 0.40
GSK3B P49841 11/20 0.40
CCNB3 Q8WWL7 11/20 0.40
CDK5 Q00535 8/20 0.40
CDK5R1 Q15078 8/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ZAP70 P43403 1/20 0.34
PTK2B Q14289 1/20 0.34
BTK Q06187 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4261079 0.76 GSK3B (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL17159764 0.72 CCNB2 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL529185 0.72 ADORA2A (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL29100845 0.66 DAO (0.49)
SCHEMBL7710619 0.66 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL11668793 0.66 KDM4E (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL15490615 0.65 CCNB2 (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL12590225 0.63 MAPK1 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4735638 0.61 ALDH1A1 (0.53) CYP1A2CYP2C19BTKPDE3BPDE3A
SCHEMBL607884 0.61 APLNR (0.40) CYP1A2CYP2C19BTKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112770779-B Cellulose composition, tablet and orally disintegrating tablet 旭化成株式会社 2022-07-22 CN disclosed
CN-112996850-A Cellulose composition and tablet 旭化成株式会社 2021-06-18 CN disclosed
CN-112770779-A Cellulose composition, tablet and orally disintegrating tablet 旭化成株式会社 2021-05-07 CN disclosed