SCHEMBL26612109

SCHEMBL26612109

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.73
▸ ALK Q9UM73 7/20 0.63
▸ INSR P06213 4/20 0.60
▸ IGF1R P08069 3/20 0.60
▸ LRRK2 Q5S007 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ ROS1 P08922 1/20 0.58
▸ EML4 Q9HC35 1/20 0.58

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
SCHEMBL26612033 0.92 EGFR (0.73) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611761 0.91 EGFR (0.73) EGFRALKINSRIGF1RAURKA
SCHEMBL26611961 0.91 EGFR (0.72) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611568 0.90 EGFR (0.74) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611884 0.88 EGFR (0.77) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611806 0.88 EGFR (0.77) EGFRALKINSRIGF1RLRRK2
SCHEMBL26612055 0.88 EGFR (0.75) EGFRALKINSRIGF1RLRRK2
SCHEMBL26612137 0.88 ALK (0.72) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611456 0.88 EGFR (0.74) EGFRALKINSRIGF1RLRRK2
SCHEMBL26611614 0.87 ALK (0.62) EGFRALKINSRIGF1RLRRK2

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
Send feedback