SCHEMBL23847486

SCHEMBL23847486

COc1cc(-c2cn(C3CCCCC3)c3ncnc(N)c23)ccc1Oc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.80
TEK Q02763 10/20 0.80
KDR P35968 7/20 0.80
SRC P12931 14/20 0.72
EGFR P00533 8/20 0.72
LYN P07948 3/20 0.72
FYN P06241 2/20 0.72
CSK P41240 2/20 0.72
BTK Q06187 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
RGS12 O14924 1/20 0.72
NPC1 O15118 1/20 0.72
GMNN O75496 1/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
TP53 P04637 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72

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
SCHEMBL23834558 0.90 LCK (0.68) LCKTEKKDRSRCEGFR
SCHEMBL30053991 0.90 LCK (0.68) LCKTEKKDRSRCEGFR
SCHEMBL7005185 0.89 LCK (1.00) LCKTEKKDRSRCEGFR
SCHEMBL23847567 0.88 LCK (0.70) LCKTEKKDRSRCEGFR
SCHEMBL30893945 0.88 LCK (0.70) LCKTEKKDRSRCEGFR
SCHEMBL23834526 0.87 LCK (0.64) LCKTEKKDRSRCEGFR
SCHEMBL30054260 0.87 LCK (0.64) LCKTEKKDRSRCEGFR
SCHEMBL30893916 0.87 SRC (0.68) LCKTEKKDRSRCEGFR
SCHEMBL23847565 0.87 SRC (0.68) LCKTEKKDRSRCEGFR
SCHEMBL23834505 0.85 SRC (0.98) LCKTEKKDRSRCEGFR

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-2021188417-A1 COMPOUNDS FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA FLASH THERAPEUTICS, LLC (US) 2021-09-23 WO disclosed