SCHEMBL26611718

SCHEMBL26611718

COc1cc(C2CCNCC2)ccc1Nc1ncc(Br)c(Nc2ccccc2CN[SH](=O)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.73
▸ MET P08581 1/20 0.60
▸ ALK Q9UM73 7/20 0.56
▸ IGF1R P08069 2/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ KCNH2 Q12809 2/20 0.49
▸ INSR P06213 1/20 0.49

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
SCHEMBL26611601 0.93 EGFR (0.72) EGFRMETALKIGF1RFLT4
SCHEMBL26611782 0.91 EGFR (0.73) EGFRMETALKIGF1RKCNH2
SCHEMBL26611783 0.88 EGFR (0.74) EGFRMETALKFLT4PTK2
SCHEMBL21847020 0.85 EGFR (1.00) EGFRMETALK
SCHEMBL26611521 0.85 EGFR (0.72) EGFRMETALKIGF1RFLT4
SCHEMBL26612235 0.84 EGFR (0.76) EGFRMETALKIGF1RKCNH2
SCHEMBL21846993 0.82 EGFR (1.00) EGFRMETALKKCNH2INSR
SCHEMBL21953533 0.81 EGFR (0.74) EGFRMETALKIGF1RKCNH2
SCHEMBL26611716 0.80 EGFR (0.74) EGFRMETALKIGF1RINSR
SCHEMBL26611562 0.78 EGFR (0.74) EGFRMETALKIGF1RPTK2

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