SCHEMBL20813476

SCHEMBL20813476

COc1cc2ncnc(I)c2cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.52
▸ RET P07949 12/20 0.49
▸ KDR P35968 9/20 0.49
▸ KIF5B P33176 9/20 0.49
▸ JAK3 P52333 3/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ GAK O14976 1/20 0.44
▸ STK10 O94804 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ Q6ZSR9 Q6ZSR9 1/20 0.44
▸ SLK Q9H2G2 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ RPS6KA6 Q9UK32 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL20813470 0.93 EGFR (0.52) EGFRRETKDRKIF5BJAK3
SCHEMBL19933282 0.87 ENPP1 (0.53) EGFRRETKDRGAKLCK
SCHEMBL29801726 0.84 EGFR (0.53) EGFRRETKDRKIF5BJAK3
SCHEMBL216888 0.84 EGFR (0.53) EGFRRETKDRKIF5BJAK3
SCHEMBL12447316 0.83 EGFR (0.52) EGFRRETKDRKIF5BJAK3
Hydrochloric Acid SCHEMBL28006468 0.83 EGFR (0.52) EGFRRETKDRKIF5BJAK3
SCHEMBL8230611 0.81 EGFR (0.51) EGFRRETKDRKIF5BJAK3
SCHEMBL30968992 0.81 EGFR (0.51) EGFRRETKDRKIF5BJAK3
SCHEMBL666884 0.81 ENPP1 (0.63) EGFRRETKDRKIF5BATM
SCHEMBL30032092 0.81 ENPP1 (0.63) EGFRRETKDRKIF5BATM

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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