SCHEMBL25004684

SCHEMBL25004684

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3cccc4c3N(S(C)(=O)=O)CC4)n2)c(OC)cc1N(C)CCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.59
▸ ALK Q9UM73 5/20 0.59
▸ EML4 Q9HC35 3/20 0.59
▸ ERBB2 P04626 1/20 0.58
▸ INSR P06213 1/20 0.58
▸ ROS1 P08922 1/20 0.58
▸ FER P16591 1/20 0.58
▸ LTK P29376 1/20 0.58
▸ BLK P51451 1/20 0.58
▸ PTK2 Q05397 1/20 0.58
▸ BTK Q06187 1/20 0.58
▸ TNK2 Q07912 1/20 0.58
▸ ERBB4 Q15303 1/20 0.58
▸ SLK Q9H2G2 1/20 0.58

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
SCHEMBL30223009 1.00 EGFR (0.59) EGFRALKEML4ERBB2INSR
SCHEMBL25004682 0.99 EGFR (0.60) EGFRALKEML4ERBB2INSR
SCHEMBL30222930 0.99 EGFR (0.60) EGFRALKEML4ERBB2INSR
SCHEMBL25005401 0.98 EGFR (0.60) EGFRALKEML4ERBB2INSR
SCHEMBL30222883 0.96 EGFR (0.62) EGFRALKEML4ERBB2INSR
SCHEMBL25004683 0.96 EGFR (0.62) EGFRALKEML4ERBB2INSR
SCHEMBL30223103 0.94 EGFR (0.62) EGFRALKEML4ERBB2INSR
SCHEMBL25005691 0.94 EGFR (0.59) EGFRALKEML4ERBB2INSR
SCHEMBL30222967 0.94 EGFR (0.59) EGFRALKEML4ERBB2INSR
SCHEMBL25004676 0.93 EGFR (0.59) EGFRALKEML4ERBB2INSR

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
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP claimed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP disclosed
WO-2023014022-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-09 — — WO disclosed
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