SCHEMBL29936740

SCHEMBL29936740

C=CC(=O)Nc1cc(Nc2cc(Nc3ccccc3-n3cccn3)ncn2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ALK Q9UM73 3/20 0.60
EML4 Q9HC35 2/20 0.59
ERBB3 P21860 1/20 0.57
PTK2 Q05397 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL24663098 1.00 EGFR (0.84) EGFRALKEML4ERBB3PTK2
SCHEMBL29936744 0.93 EGFR (0.74) EGFRALKEML4ERBB3PTK2
SCHEMBL24662609 0.93 EGFR (0.74) EGFRALKEML4ERBB3PTK2
SCHEMBL27004241 0.91 EGFR (0.71) EGFRALKEML4ERBB3PTK2
SCHEMBL24663149 0.86 EGFR (0.81) EGFRALKEML4PTK2KCNH2
SCHEMBL30717902 0.86 EGFR (0.81) EGFRALKEML4PTK2KCNH2
SCHEMBL24663107 0.86 EGFR (0.80) EGFRALKEML4PTK2KCNH2
SCHEMBL27001636 0.85 EGFR (0.79) EGFRALKEML4PTK2
SCHEMBL29936474 0.85 EGFR (0.79) EGFRALKEML4PTK2
SCHEMBL22819201 0.83 EGFR (0.65) EGFRALKEML4ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022191664-A1 NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS 주식회사 온코빅스 2022-09-15 WO claimed
EP-4306518-A1 NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS Oncobix Co., Ltd. (KR) 2024-01-17 EP disclosed
WO-2022191664-A1 NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS 주식회사 온코빅스 2022-09-15 WO disclosed