SCHEMBL22338293

SCHEMBL22338293

C/C=C\C(=C/C)Nc1ncnc2cc(OC)c(OCCCC)cc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.56
▸ KDR P35968 12/20 0.54
▸ EGFR P00533 11/20 0.54
▸ ENPP1 P22413 1/20 0.51
▸ LCK P06239 2/20 0.50
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FLT1 P17948 1/20 0.48

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
SCHEMBL24353219 0.86 EGFR (0.55) KDREGFRHDAC3HDAC1HDAC6
SCHEMBL24938199 0.77 EGFR (0.52) KDREGFRHDAC3HDAC1HDAC6
SCHEMBL13299050 0.75 ENPP1 (0.86) SRCKDREGFRENPP1HDAC3
SCHEMBL8649615 0.75 ENPP1 (0.86) SRCKDREGFRENPP1HDAC3
SCHEMBL24166697 0.75 KDR (0.70) SRCKDREGFRHDAC3HDAC4
SCHEMBL23075114 0.73 KDR (0.69) SRCKDREGFR
SCHEMBL20614884 0.72 SRC (0.41) SRCKDREGFRLCKFLT1
SCHEMBL20614661 0.72 SRC (0.41) SRCKDREGFRLCK
SCHEMBL7402352 0.71 KDR (0.64) SRCKDREGFRFLT1
SCHEMBL8258194 0.71 EGFR (0.83) SRCKDREGFRLCKHDAC3

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
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