SCHEMBL27238012

SCHEMBL27238012

C=C(C(N)=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(OC)cc1OCCN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.59
▸ LRRK2 Q5S007 1/20 0.56
▸ ROS1 P08922 2/20 0.55
▸ ALK Q9UM73 2/20 0.55

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
SCHEMBL27237966 0.88 EGFR (0.56) EGFRLRRK2ROS1ALK
SCHEMBL27238020 0.88 EGFR (0.56) EGFRLRRK2ROS1ALK
SCHEMBL30223016 0.85 EGFR (0.66) EGFRLRRK2ROS1ALK
SCHEMBL27238046 0.85 EGFR (0.66) EGFRLRRK2ROS1ALK
SCHEMBL1038713 0.83 ALK (0.62) EGFRLRRK2ROS1ALK
SCHEMBL1035784 0.82 ALK (0.61) EGFRLRRK2ROS1ALK
SCHEMBL12765458 0.81 ALK (0.62) EGFRLRRK2ROS1ALK
Hydrochloric Acid SCHEMBL1038919 0.81 ALK (0.62) EGFRLRRK2ROS1ALK
SCHEMBL23255650 0.79 EGFR (0.64) EGFRLRRK2
SCHEMBL27237999 0.79 EGFR (0.54) EGFRLRRK2ROS1ALK

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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