SCHEMBL9728735

SCHEMBL9728735

CCc1ncnc(NC(C)c2ccc(OC(F)F)cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM4 P08173 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
IDH1 O75874 3/20 0.36
HTR7 P34969 1/20 0.35
PDE2A O00408 1/20 0.34
CRHR1 P34998 1/20 0.34
ERBB2 P04626 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL9729823 0.87 EGFR (0.39) EGFRMEN1KMT2AGALR3NR2F2
SCHEMBL9729004 0.84 IDH1 (0.39) EGFRGALR3NR2F2IDH1HTR7
SCHEMBL9729841 0.84 EGFR (0.41) EGFRMEN1KMT2ACHRM4GALR3
SCHEMBL9728970 0.75 EGFR (0.40) EGFRMEN1KMT2AGALR3NR2F2
SCHEMBL8024509 0.75 EGFR (0.40) EGFRMEN1KMT2AGALR3NR2F2
SCHEMBL9728933 0.74 IDH1 (0.37) EGFRGALR3NR2F2IDH1HTR7
SCHEMBL9193841 0.74 CRHR1 (0.39) EGFRMEN1KMT2ACRHR1
SCHEMBL9403591 0.73 EGFR (0.39) EGFRMEN1KMT2AGALR3NR2F2
SCHEMBL9728674 0.73 EGFR (0.39) EGFRMEN1KMT2ACHRM4CRHR1
SCHEMBL8030576 0.72 IDH1 (0.39) EGFRMEN1KMT2AGALR3NR2F2

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