SCHEMBL5598420

SCHEMBL5598420

N=C(N)c1ncc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ PLAU P00749 2/20 0.37
▸ F2 P00734 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCF1 P14598 1/20 0.36
▸ NOS2 P35228 1/20 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
SCHEMBL29668334 0.81 IKBKB (0.47) KDM4EGPR3EGFRCYP1A2PLAU
SCHEMBL422040 0.81 IKBKB (0.47) KDM4EGPR3EGFRCYP1A2PLAU
SCHEMBL27808756 0.79 IKBKB (0.46) KDM4EGPR3EGFRCYP1A2PLAU
Hydrochloric Acid SCHEMBL14843117 0.79 IKBKB (0.46) KDM4EGPR3EGFRCYP1A2PLAU
SCHEMBL10559629 0.78 IKBKB (0.41) KDM4EGPR3EGFRCYP1A2PLAU
SCHEMBL2005662 0.77 MGAM (0.41) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL28127066 0.77 CYP1A2 (0.37) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL29427872 0.74 MGAM (0.50) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL5350724 0.74 MGAM (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL2337793 0.74 MGAM (0.50) KDM4EGPR3EGFRALDH1A1MAPT

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-103797002-B Dyrk1 inhibitors and uses thereof 迪亚克森海特公司 2017-02-22 — — CN claimed
CN-103797002-B Dyrk1 inhibitors and uses thereof 迪亚克森海特公司 2017-02-22 — — CN disclosed
EP-2744797-A1 DYRK1 INHIBITORS AND USES THEREOF Diaxonhit (FR) 2014-06-25 — — EP disclosed
WO-2013026806-A1 DYRK1 INHIBITORS AND USES THEREOF EXONHIT SA (FR) 2013-02-28 — — WO disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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