SCHEMBL9728674

SCHEMBL9728674

CCC(Nc1ncnc(C)c1F)c1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
CHRM4 P08173 1/20 0.37
LMNA P02545 1/20 0.36
RPS6KB1 P23443 3/20 0.35
CRHR1 P34998 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL23037 0.87 CRHR1 (0.38) EGFRCHRM4LMNARPS6KB1CRHR1
SCHEMBL9728774 0.84 EGFR (0.38) EGFRLMNARPS6KB1CRHR1P2RX3
SCHEMBL9729841 0.84 EGFR (0.41) EGFRCHRM4MEN1KMT2AP2RX3
SCHEMBL9193841 0.79 CRHR1 (0.39) EGFRRPS6KB1CRHR1MEN1KMT2A
SCHEMBL8025137 0.79 EGFR (0.37) EGFRRPS6KB1CRHR1MEN1KMT2A
SCHEMBL9729074 0.77 JAK2 (0.38) EGFRCHRM4LMNACRHR1ALDH1A1
SCHEMBL9729031 0.74 EGFR (0.36) EGFRLMNARPS6KB1CRHR1
SCHEMBL9728735 0.73 EGFR (0.39) EGFRCHRM4CRHR1MEN1KMT2A
SCHEMBL9765693 0.72 CRHR1 (0.36) LMNACRHR1MEN1KMT2AALDH1A1
SCHEMBL8286106 0.71 MAPK1 (0.42) LMNAMEN1KMT2AALDH1A1GAA

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