SCHEMBL21953533

SCHEMBL21953533

COc1cc(C2CCNCC2)ccc1Nc1ncc(Br)c(Nc2ccccc2N[S+](N)[O-])n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.74
▸ MET P08581 1/20 0.59
▸ ALK Q9UM73 7/20 0.55
▸ IGF1R P08069 2/20 0.51
▸ KCNH2 Q12809 2/20 0.49
▸ INSR P06213 1/20 0.49
▸ CAMK2D Q13557 1/20 0.48

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
SCHEMBL21846993 0.85 EGFR (1.00) EGFRMETALKKCNH2INSR
SCHEMBL21847020 0.84 EGFR (1.00) EGFRMETALK
SCHEMBL26611718 0.81 EGFR (0.73) EGFRMETALKIGF1RKCNH2
SCHEMBL21846975 0.76 EGFR (1.00) EGFRMETALK
SCHEMBL26970210 0.76 EGFR (0.63) EGFRMETALKIGF1RCAMK2D
SCHEMBL30689961 0.76 EGFR (0.63) EGFRMETALKIGF1RCAMK2D
SCHEMBL21847011 0.75 EGFR (1.00) EGFRMETALKKCNH2INSR
SCHEMBL21846976 0.75 EGFR (1.00) EGFRMETALK
SCHEMBL21846990 0.74 EGFR (1.00) EGFRMETALK
SCHEMBL29526468 0.74 EGFR (0.67) EGFRMETALKCAMK2D

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-A1 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 Research Institute of Chemical Technology (KR) 2020-04-22 — — EP disclosed
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