SCHEMBL26611521

SCHEMBL26611521

COc1cc(C2CCNCC2)ccc1Nc1nccc(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.72
▸ ALK Q9UM73 7/20 0.53
▸ MET P08581 1/20 0.52
▸ FLT4 P35916 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ IGF1R P08069 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46

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
SCHEMBL26611601 0.87 EGFR (0.72) EGFRALKMETFLT4PTK2
SCHEMBL26611782 0.85 EGFR (0.73) EGFRALKMETIGF1RKCNH2
SCHEMBL26611718 0.85 EGFR (0.73) EGFRALKMETFLT4PTK2
SCHEMBL21846967 0.84 EGFR (1.00) EGFRALKMETPTK2
SCHEMBL26611783 0.83 EGFR (0.74) EGFRALKMETFLT4PTK2
SCHEMBL26612235 0.78 EGFR (0.76) EGFRALKMETIGF1RKCNH2
SCHEMBL30957984 0.77 EGFR (0.63) EGFRALKMETFLT4PTK2
SCHEMBL26611716 0.74 EGFR (0.74) EGFRALKMETIGF1R
SCHEMBL26611562 0.72 EGFR (0.74) EGFRALKMETPTK2IGF1R
SCHEMBL26611707 0.72 EGFR (0.75) EGFRALKMETIGF1RKCNH2

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-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 — — EP claimed
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