SCHEMBL20813844

SCHEMBL20813844

COc1cccc2c(I)ncnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.49
▸ ADRA1D P25100 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ ADRA1B P35368 2/20 0.49
▸ EGFR P00533 1/20 0.48
▸ HPGDS O60760 1/20 0.44
▸ NQO2 P16083 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ ATP4A P20648 1/20 0.40

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
SCHEMBL3240985 0.79 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL11583026 0.79 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL26501336 0.78 PDE5A (0.56) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL29461230 0.78 MEN1 (0.55) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL857736 0.78 MEN1 (0.55) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL3507559 0.78 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL20813475 0.77 KDM4E (0.41) EGFRMEN1HPGDKMT2APDE5A
SCHEMBL22644982 0.76 PDE1B (0.48) HTR1AADRA1DADRA1AADRA1BEGFR
Hydrochloric Acid SCHEMBL28311213 0.76 PDE5A (0.54) HTR1AADRA1DADRA1AADRA1BEGFR
Hydrochloric Acid SCHEMBL28298100 0.76 EGFR (0.54) HTR1AADRA1DADRA1AADRA1BEGFR

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
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