SCHEMBL30879121

SCHEMBL30879121

CCOC(=O)C(C#N)C(=O)c1cnc(Nc2ccccc2OC)nc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ EGFR P00533 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ MAP4K1 Q92918 3/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ AURKA O14965 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42

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
SCHEMBL30879267 0.88 ZAP70 (0.48) RAB9ASIRT5EGFRUSP2MAPT
SCHEMBL30879367 0.84 SIRT5 (0.64) RAB9ASIRT5MAPK8MAPK9EGFR
SCHEMBL30878666 0.82 SYK (0.56) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL30879227 0.80 RAB9A (0.62) RAB9AMAPK8MAPK9EGFRJAK2
SCHEMBL30878914 0.78 MAPT (0.60) RAB9ASIRT5MAPK8MAPK9USP2
SCHEMBL29761528 0.78 MAPK8 (0.74) RAB9AMAPK8MAPK9EGFRJAK2
SCHEMBL14658264 0.78 MAPK8 (0.74) RAB9AMAPK8MAPK9EGFRJAK2
SCHEMBL30879124 0.78 MAPT (0.70) RAB9ASIRT5USP2MAPTALOX15
SCHEMBL30878883 0.76 SIRT5 (0.60) RAB9ASIRT5MAPK8MAPK9EGFR
SCHEMBL30879241 0.74 GAA (0.58) RAB9AMAPK8MAPK9EGFRMAPT

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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