SCHEMBL30879367

SCHEMBL30879367

CCOC(=O)c1cnc(Nc2ccccc2OC)nc1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.64
▸ ALOX15 P16050 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ RAB9A P51151 1/20 0.58
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ EGFR P00533 2/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ AURKA O14965 1/20 0.52
▸ MAP4K1 Q92918 3/20 0.51
▸ SYK P43405 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ IGF1R P08069 1/20 0.50

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
SCHEMBL30879124 0.94 MAPT (0.70) SIRT5ALOX15TSHRNPSR1MAPT
SCHEMBL30878914 0.93 MAPT (0.60) SIRT5ALOX15TSHRNPSR1MAPT
SCHEMBL30878883 0.91 SIRT5 (0.60) SIRT5ALOX15TSHRNPSR1MAPT
SCHEMBL30879227 0.87 RAB9A (0.62) RAB9AMAPK8MAPK9EGFRAURKA
SCHEMBL14658264 0.85 MAPK8 (0.74) RAB9AMAPK8MAPK9EGFRMAP4K1
SCHEMBL29761528 0.85 MAPK8 (0.74) RAB9AMAPK8MAPK9EGFRMAP4K1
SCHEMBL30879121 0.84 RAB9A (0.50) SIRT5ALOX15TSHRNPSR1MAPT
SCHEMBL18011900 0.81 MAP4K1 (0.49) SIRT5ALOX15TSHRNPSR1MAPT
SCHEMBL29526267 0.81 MAP4K1 (0.80) MAP4K1
SCHEMBL30879241 0.81 GAA (0.58) NPSR1MAPTSMN1; SMN2RAB9AMAPK8

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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