SCHEMBL26611766

SCHEMBL26611766

COc1cc(N2CCN(C3CCN(C(C)=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.76
▸ ALK Q9UM73 14/20 0.67
▸ INSR P06213 4/20 0.65
▸ IGF1R P08069 4/20 0.65
▸ MAPK3 P27361 1/20 0.62

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
SCHEMBL26611923 0.97 EGFR (0.76) EGFRALKINSRIGF1RMAPK3
SCHEMBL26611456 0.92 EGFR (0.74) EGFRALKINSRIGF1RMAPK3
SCHEMBL26612255 0.91 EGFR (0.77) EGFRALKINSRIGF1R
SCHEMBL26611568 0.90 EGFR (0.74) EGFRALKINSRIGF1R
SCHEMBL26611925 0.90 EGFR (0.75) EGFRALKINSRIGF1R
SCHEMBL26611721 0.89 EGFR (0.77) EGFRALKINSRIGF1R
SCHEMBL26612055 0.88 EGFR (0.75) EGFRALKINSRIGF1R
SCHEMBL26612137 0.88 ALK (0.72) EGFRALKINSRIGF1R
SCHEMBL26611707 0.87 EGFR (0.75) EGFRALKINSRIGF1R
SCHEMBL26611961 0.86 EGFR (0.72) EGFRALKINSRIGF1R

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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