SCHEMBL16366394

SCHEMBL16366394

CCOCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.86
SRC P12931 8/20 0.86
LCK P06239 4/20 0.82
PKMYT1 Q99640 3/20 0.82
EPHB6 O15197 2/20 0.82
EGFR P00533 2/20 0.82
FYN P06241 2/20 0.82
CSF1R P07333 2/20 0.82
YES1 P07947 2/20 0.82
LYN P07948 2/20 0.82
RET P07949 2/20 0.82
HCK P08631 2/20 0.82
KIT P10721 2/20 0.82
BCR P11274 2/20 0.82
BRAF P15056 2/20 0.82
EPHA1 P21709 2/20 0.82
EPHA2 P29317 2/20 0.82
EPHA3 P29320 2/20 0.82
EPHA8 P29322 2/20 0.82
EPHB2 P29323 2/20 0.82

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
SCHEMBL22861837 0.99 ABL1 (0.88) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL17620522 0.96 ABL1 (0.93) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL25918909 0.94 ABL1 (0.90) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL17663528 0.94 ABL1 (0.86) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL14670790 0.93 ABL1 (0.83) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL20339396 0.93 ABL1 (0.99) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL31114216 0.93 ABL1 (0.99) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL16582217 0.93 ABL1 (0.85) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL16907384 0.92 ABL1 (0.82) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL16898212 0.92 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019173224-A1 DEUTERATED COMPOUNDS AND CHIMERAS AND USES THEREOF BIOTHERYX, INC. (US) 2019-09-12 WO disclosed
WO-2014204856-A1 FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-24 WO disclosed