SCHEMBL22338317

SCHEMBL22338317

NCCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.83
ERBB2 P04626 9/20 0.81
ABCB11 O95342 2/20 0.81
MEN1 O00255 1/20 0.81
PIK3C2B O00750 1/20 0.81
MAP2K7 O14733 1/20 0.81
RIPK2 O43353 1/20 0.81
PIK3C2G O75747 1/20 0.81
STK10 O94804 1/20 0.81
ABL1 P00519 1/20 0.81
INSR P06213 1/20 0.81
RET P07949 1/20 0.81
CYP3A4 P08684 1/20 0.81
PDGFRB P09619 1/20 0.81
SRC P12931 1/20 0.81
CYP3A5 P20815 1/20 0.81
ERBB3 P21860 1/20 0.81
CDK2 P24941 1/20 0.81
KMT2A Q03164 1/20 0.81
KCNH2 Q12809 1/20 0.81

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
SCHEMBL22336743 0.93 EGFR (0.84) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL12727523 0.93 EGFR (0.87) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766062 0.93 EGFR (0.81) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766160 0.93 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766039 0.92 HDAC3 (0.82) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766024 0.92 EGFR (0.82) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL13497874 0.92 EGFR (0.81) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL25599578 0.91 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL17551805 0.91 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL15766068 0.91 EGFR (0.83) EGFRERBB2ABCB11MEN1PIK3C2B

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
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed