SCHEMBL28177557

SCHEMBL28177557

CNc1c(N)ccc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11442558 0.82 CD44 (0.41) CD44KDM4EALDH1A1MAPTTP53
SCHEMBL8466087 0.74 TSHR (0.48) CD44KDM4EALDH1A1MAPTCYP3A4
SCHEMBL28684099 0.74 CYP3A4 (0.37) ALDH1A1MAPTTP53CYP3A4TDP1
SCHEMBL15089832 0.74 CYP3A4 (0.37) CD44ALDH1A1MAPTTP53CYP3A4
SCHEMBL5510292 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL30587393 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3197673 0.70 ALDH1A1 (0.37) KDM4EALDH1A1MAPTCYP3A4THRB
SCHEMBL14290261 0.69 ADORA1 (0.34) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL24607999 0.67 PTGER4 (0.34) ALDH1A1CYP3A4ALOX15SMN1; SMN2TDP1
SCHEMBL11901399 0.67 ALDH1A1 (0.32) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847588-B Molecular construct with targeting and effector moieties and uses thereof 免疫功坊股份有限公司 2021-12-28 — — CN claimed
CN-107106683-B Molecular construct comprising targeting and effector components 中央研究院 2021-07-20 — — CN claimed
CN-108431045-A Molecular construct for preventing and/or treating thrombosis 免疫功坊股份有限公司 2018-08-21 — — CN claimed
CN-107847588-A Molecular construct with targeting and effector moieties and uses thereof 免疫功坊股份有限公司 2018-03-27 — — CN claimed
CN-107106683-A Molecular construct comprising targeting and effector components 中央研究院 2017-08-29 — — CN claimed
CN-108431045-B Molecular construct for preventing and/or treating thrombosis 免疫功坊股份有限公司 2022-05-13 — — CN disclosed
CN-107847588-B Molecular construct with targeting and effector moieties and uses thereof 免疫功坊股份有限公司 2021-12-28 — — CN disclosed
CN-107106683-B Molecular construct comprising targeting and effector components 中央研究院 2021-07-20 — — CN disclosed
CN-108431045-A Molecular construct for preventing and/or treating thrombosis 免疫功坊股份有限公司 2018-08-21 — — CN disclosed
CN-107847588-A Molecular construct with targeting and effector moieties and uses thereof 免疫功坊股份有限公司 2018-03-27 — — CN disclosed
CN-107106683-A Molecular construct comprising targeting and effector components 中央研究院 2017-08-29 — — CN disclosed
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