Sugi Predict

Sugi Predict / Compounds / SCHEMBL28173370

SCHEMBL28173370

SCHEMBL28173370

c1ccc(N2CCC(N3CCCC3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.57
▸ L3MBTL3 Q96JM7 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MBTD1 Q05BQ5 1/20 0.57
▸ PLD1 Q13393 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL28101766 0.98 HRH3 (0.56) HRH3L3MBTL3L3MBTL1MBTD1PLD1
SCHEMBL28161959 0.85 HRH3 (0.60) HRH3KDM4E
SCHEMBL230367 0.82 PLD1 (0.68) PLD1KDM4E
SCHEMBL29462629 0.82 PLD1 (0.68) PLD1KDM4E
SCHEMBL18228078 0.82 PLD1 (0.68) PLD1KDM4E
SCHEMBL12469377 0.81 PLD1 (0.59) HRH3PLD1
Hydrochloric Acid SCHEMBL30476672 0.80 PLD1 (0.66) PLD1KDM4E
SCHEMBL3154137 0.80 PLD1 (0.66) PLD1KDM4E
SCHEMBL19540186 0.80 PLD1 (0.66) PLD1KDM4E
SCHEMBL29389926 0.80 PLD1 (0.66) PLD1KDM4E

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-107250116-A 3,5 diamino-pyrazole kinase inhibitors 埃克希金医药品有限公司 2017-10-13 — — CN claimed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 — — CN disclosed
CN-107250116-A 3,5 diamino-pyrazole kinase inhibitors 埃克希金医药品有限公司 2017-10-13 — — CN disclosed