SCHEMBL20813475

SCHEMBL20813475

COc1ccc2c(I)ncnc2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PDE1B Q01064 3/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ CLK1 P49759 1/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ PTGS1 P23219 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
SCHEMBL27109564 0.81 KDM4E (0.42) KDM4ENPC1GAAMAPTTHRB
SCHEMBL24067423 0.78 KDM4E (0.40) KDM4ENPC1GAAMAPTTHRB
SCHEMBL20813844 0.77 HTR1A (0.49) PDE5AEGFRMEN1KMT2AHPGD
SCHEMBL20813842 0.70 CYP1A2 (0.42) KDM4EMAPTPDE5APDE1BALDH1A1
SCHEMBL20814021 0.70 NOTUM (0.36) PDE1BPDE1APDE1C
SCHEMBL20813448 0.69 PDE5A (0.41) KDM4EGAAMAPTMAPK1PDE5A
SCHEMBL20813790 0.67 SLC6A3 (0.39) MAPTCLK1EGFRMEN1KMT2A
SCHEMBL17142275 0.67 PDE5A (0.51) KDM4ENPC1MAPTPDE5APDE1B
SCHEMBL1710455 0.66 ALDH1A1 (0.50) KDM4ENPC1GAAMAPTTHRB
SCHEMBL1014275 0.66 ALDH1A1 (0.50) KDM4ENPC1GAAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327882-A2 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER The Board of Trustees of the Leland Stanford Junior University (US) 2024-02-28 — — EP disclosed
WO-2023077083-A1 ENPP1 INHIBITORS AS INHIBITORS OF METASTASIS ANGARUS THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
WO-2021226136-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ANGARUS THERAPEUTICS, INC. (US) 2021-11-11 — — WO disclosed
WO-2019051269-A1 ENPP1 INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-14 — — WO disclosed
Send feedback