SCHEMBL29938196

SCHEMBL29938196

N#Cc1cncc(CNO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDCD1 Q15116 4/20 0.37
▸ CD274 Q9NZQ7 4/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ VNN1 O95497 4/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL16619272 0.83 LOXL2 (0.52) ADORA2BPDCD1CD274NR3C2
SCHEMBL3506919 0.80 CD274 (0.41) ADORA2BPDCD1CD274KDM1AHDAC1
SCHEMBL1413439 0.79 CYP11B1 (0.47) CYP11B1CYP11B2ADORA2A
SCHEMBL30044994 0.79 CYP11B1 (0.47) CYP11B1CYP11B2ADORA2A
SCHEMBL2560682 0.78 ADORA2A (0.43) CYP11B1CYP11B2ADORA2A
SCHEMBL25489462 0.77 PDCD1 (0.38) ADORA2BKDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28478178 0.77 CYP11B1 (0.46) ADORA2BCYP11B1CYP11B2ADORA2A
SCHEMBL27209742 0.76 HRH3 (0.37) KDM4EALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL1413419 0.75 GRIN2B (0.40) CYP11B1CYP11B2
SCHEMBL19911768 0.75 CYP11B2 (0.47) KDM4EPDCD1CD274CYP11B1CYP11B2

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-117500795-A Receptor interacting protein 1 inhibitor, preparation and application thereof 维泰瑞隆有限公司 2024-02-02 — — CN disclosed
EP-4308555-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-01-24 — — EP disclosed
WO-2022194259-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2022-09-22 — — WO disclosed
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