SCHEMBL30879049

SCHEMBL30879049

COc1ccc(Nc2nc(Nc3ccccc3OC)ncc2C(=O)O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.59
▸ AKR1C3 P42330 1/20 0.58
▸ AKR1C2 P52895 1/20 0.58
▸ PTK2 Q05397 3/20 0.58
▸ RAB9A P51151 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ EGFR P00533 2/20 0.54
▸ MAP4K1 Q92918 1/20 0.54
▸ INSR P06213 2/20 0.53
▸ IGF1R P08069 2/20 0.53
▸ ALK Q9UM73 2/20 0.53
▸ LRRK2 Q5S007 2/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ PIK3CG P48736 1/20 0.51

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
SCHEMBL30878718 0.92 ZAP70 (0.59) ZAP70PTK2RAB9AKDM4EALDH1A1
SCHEMBL30878826 0.88 CYP1A2 (0.62) AKR1C3AKR1C2RAB9AMAPK1EGFR
SCHEMBL30879241 0.88 GAA (0.58) AKR1C3AKR1C2PTK2RAB9AALDH1A1
SCHEMBL30879227 0.85 RAB9A (0.62) PTK2RAB9AEGFRMAP4K1ALK
SCHEMBL14658247 0.83 MAPK8 (0.71) EGFRMAP4K1MAPK8SHMT2
SCHEMBL29761515 0.83 MAPK8 (0.71) EGFRMAP4K1MAPK8SHMT2
SCHEMBL30878841 0.83 KMT2A (0.64) ZAP70AKR1C3AKR1C2PTK2RAB9A
SCHEMBL31612071 0.82 SHMT2 (0.53) AKR1C3AKR1C2PTK2KDM4EALDH1A1
SCHEMBL30878806 0.82 F12 (0.52) ZAP70PTK2RAB9AKDM4EALDH1A1
SCHEMBL30879169 0.81 RAB9A (0.65) PTK2RAB9AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 — — EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 — — WO disclosed
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