SCHEMBL26612235

SCHEMBL26612235

COc1cc(C2CCN(C3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.76
▸ MET P08581 1/20 0.64
▸ ALK Q9UM73 5/20 0.59
▸ INSR P06213 2/20 0.57
▸ IGF1R P08069 1/20 0.57
▸ KCNH2 Q12809 1/20 0.53

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) EGFRMETALKINSRIGF1R
SCHEMBL26612240 0.92 EGFR (0.76) EGFRMETALKINSRIGF1R
SCHEMBL26611925 0.90 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL26612255 0.90 EGFR (0.77) EGFRMETALKINSRIGF1R
SCHEMBL26611468 0.89 EGFR (0.78) EGFRMETALKINSRIGF1R
SCHEMBL26611716 0.89 EGFR (0.74) EGFRMETALKINSRIGF1R
SCHEMBL26612055 0.87 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL21846971 0.86 EGFR (1.00) EGFRMET
SCHEMBL26611707 0.86 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL26611601 0.86 EGFR (0.72) EGFRMETALKINSRIGF1R

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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