SCHEMBL9728774

SCHEMBL9728774

CCC(Nc1ncnc(C)c1F)c1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
CRHR1 P34998 3/20 0.35
LMNA P02545 1/20 0.35
RPS6KB1 P23443 4/20 0.34
PTGER4 P35408 1/20 0.33
P2RX3 P56373 2/20 0.32
FAAH O00519 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL9729031 0.90 EGFR (0.36) EGFRCRHR1LMNARPS6KB1PTGER4
SCHEMBL9728674 0.84 EGFR (0.39) EGFRCRHR1LMNARPS6KB1P2RX3
SCHEMBL9729816 0.84 EGFR (0.40) EGFRLMNAP2RX3
SCHEMBL9215331 0.82 NR2F2 (0.45) EGFRLMNARPS6KB1
SCHEMBL9212072 0.82 EGFR (0.36) EGFRCRHR1RPS6KB1PTGER4
SCHEMBL9212840 0.75 ALDH1A1 (0.35) EGFRCRHR1RPS6KB1PTGER4AURKA
SCHEMBL9208274 0.74 PIK3CD (0.34) EGFRCRHR1RPS6KB1
SCHEMBL9729004 0.74 IDH1 (0.39) EGFRCRHR1
SCHEMBL9728675 0.74 EGFR (0.39) EGFRP2RX3
SCHEMBL23037 0.71 CRHR1 (0.38) EGFRCRHR1LMNARPS6KB1

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
US-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US claimed