SCHEMBL26611761

SCHEMBL26611761

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.73
▸ ALK Q9UM73 12/20 0.71
▸ INSR P06213 4/20 0.71
▸ IGF1R P08069 4/20 0.71
▸ AURKA O14965 1/20 0.71
▸ ROS1 P08922 1/20 0.71
▸ EML4 Q9HC35 1/20 0.71
▸ ZAP70 P43403 1/20 0.61

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
SCHEMBL26612109 0.91 EGFR (0.73) EGFRALKINSRIGF1RAURKA
SCHEMBL26612033 0.90 EGFR (0.73) EGFRALKINSRIGF1RAURKA
SCHEMBL26611961 0.89 EGFR (0.72) EGFRALKINSRIGF1RAURKA
SCHEMBL26611568 0.89 EGFR (0.74) EGFRALKINSRIGF1RAURKA
SCHEMBL26611528 0.88 EGFR (0.79) EGFRALKINSRIGF1RAURKA
SCHEMBL26611806 0.87 EGFR (0.77) EGFRALKINSRIGF1RZAP70
SCHEMBL26612137 0.87 ALK (0.72) EGFRALKINSRIGF1RAURKA
SCHEMBL26612055 0.87 EGFR (0.75) EGFRALKINSRIGF1RAURKA
SCHEMBL26611884 0.87 EGFR (0.77) EGFRALKINSRIGF1RAURKA
SCHEMBL29045219 0.86 ALK (0.75) EGFRALKINSRIGF1RAURKA

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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