SCHEMBL26611601

SCHEMBL26611601

COc1cc(C2CCNCC2)ccc1Nc1ncc(OC)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.72
▸ MET P08581 1/20 0.62
▸ ALK Q9UM73 7/20 0.58
▸ FLT4 P35916 1/20 0.53
▸ PTK2 Q05397 1/20 0.53
▸ KCNH2 Q12809 2/20 0.51
▸ INSR P06213 1/20 0.51
▸ IGF1R P08069 1/20 0.49
▸ CAMK2D Q13557 1/20 0.49

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
SCHEMBL26611782 0.93 EGFR (0.73) EGFRMETALKKCNH2INSR
SCHEMBL26611718 0.93 EGFR (0.73) EGFRMETALKFLT4PTK2
SCHEMBL26611783 0.91 EGFR (0.74) EGFRMETALKFLT4PTK2
SCHEMBL26611521 0.87 EGFR (0.72) EGFRMETALKFLT4PTK2
SCHEMBL26612235 0.86 EGFR (0.76) EGFRMETALKKCNH2INSR
SCHEMBL21846975 0.84 EGFR (1.00) EGFRMETALK
SCHEMBL26611716 0.82 EGFR (0.74) EGFRMETALKINSRIGF1R
SCHEMBL26611562 0.80 EGFR (0.74) EGFRMETALKPTK2KCNH2
SCHEMBL26611707 0.80 EGFR (0.75) EGFRMETALKKCNH2INSR
SCHEMBL26611935 0.79 EGFR (0.77) EGFRMETALKPTK2INSR

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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