SCHEMBL28535007

SCHEMBL28535007

[c]1nccc2cc(-c3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
DYRK3 O43781 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPC1 O15118 3/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
GAA P10253 3/20 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
SCHEMBL28538426 0.85 BACE1 (0.47) BACE1ESR1ESR2DYRK3CLK1
SCHEMBL2080 0.73 ALDH1A1 (0.35) BACE1KDM4EMAPTALDH1A1HPGD
SCHEMBL3141049 0.72 ALDH1A1 (0.41) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL28399583 0.71 ALDH1A1 (0.33) BACE1KDM4EMAPTALDH1A1HPGD
SCHEMBL29103760 0.71 ALDH1A1 (0.33) BACE1KDM4EMAPTALDH1A1HPGD
SCHEMBL2356812 0.71 CYP1A2 (0.42) BACE1GAAKDM4EMEN1KMT2A
SCHEMBL206447 0.71 BACE1 (0.38) BACE1DYRK1ANPC1CYP11B1CYP11B2
SCHEMBL2255694 0.69 ESR2 (0.42) BACE1ESR1ESR2DYRK3CLK1
SCHEMBL2253487 0.69 ESR2 (0.42) BACE1ESR1ESR2DYRK3CLK1
SCHEMBL29093556 0.68 ESR1 (0.46) BACE1ESR1ESR2DYRK3CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716555-A Compounds and compositions for targeting EGFR expressing tumors 博笛生物科技有限公司 2022-07-08 CN disclosed
CN-114671954-A Compounds and compositions targeting HER2 positive tumors 博笛生物科技有限公司 2022-06-28 CN disclosed
CN-113633783-A Compounds and compositions for immunotherapy 博笛生物科技有限公司 2021-11-12 CN disclosed
CN-105899539-B Compounds and compositions for immunotherapy 博笛生物科技有限公司 2021-11-09 CN disclosed
CN-112587672-A anti-PD-L1 conjugates for the treatment of tumors 博笛生物科技有限公司 2021-04-02 CN disclosed
CN-112546230-A Combination therapeutic compositions and combination therapeutic methods for treating cancer 博笛生物科技有限公司 2021-03-26 CN disclosed
CN-112546231-A Combination therapeutic compositions and combination therapeutic methods for treating cancer 博笛生物科技有限公司 2021-03-26 CN disclosed
CN-112546238-A anti-PD-L1 conjugates for the treatment of tumors 博笛生物科技有限公司 2021-03-26 CN disclosed
CN-109152832-A Anti-CD 20 for treating tumour combines 博笛生物科技有限公司 2019-01-04 CN disclosed