SCHEMBL27238013

SCHEMBL27238013

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.62
▸ ALK Q9UM73 8/20 0.62
▸ EML4 Q9HC35 7/20 0.62
▸ INSR P06213 2/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ ROS1 P08922 1/20 0.61
▸ FER P16591 1/20 0.61
▸ LTK P29376 1/20 0.61
▸ BLK P51451 1/20 0.61
▸ PTK2 Q05397 1/20 0.61
▸ BTK Q06187 1/20 0.61
▸ TNK2 Q07912 1/20 0.61
▸ ERBB4 Q15303 1/20 0.61
▸ SLK Q9H2G2 1/20 0.61
▸ IGF1R P08069 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52

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
SCHEMBL27238049 0.96 EGFR (0.61) EGFRALKEML4INSRERBB2
SCHEMBL30222982 0.94 EGFR (0.70) EGFRALKEML4INSRERBB2
SCHEMBL30942634 0.92 EGFR (0.61) EGFRALKEML4INSRERBB2
SCHEMBL27237988 0.92 EGFR (0.61) EGFRALKEML4INSRERBB2
SCHEMBL30222950 0.92 EGFR (0.61) EGFRALKEML4INSRERBB2
SCHEMBL25004682 0.91 EGFR (0.60) EGFRALKEML4INSRERBB2
SCHEMBL25004683 0.91 EGFR (0.62) EGFRALKEML4INSRERBB2
SCHEMBL30222883 0.91 EGFR (0.62) EGFRALKEML4INSRERBB2
SCHEMBL25005401 0.91 EGFR (0.60) EGFRALKEML4INSRERBB2
SCHEMBL30222930 0.91 EGFR (0.60) EGFRALKEML4INSRERBB2

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 1 patent. 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 disclosed
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