SCHEMBL24686337

SCHEMBL24686337

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(I)CC2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.82
SRC P12931 7/20 0.82
LCK P06239 7/20 0.82
EGFR P00533 3/20 0.80
FYN P06241 3/20 0.80
YES1 P07947 3/20 0.80
LYN P07948 3/20 0.80
HCK P08631 3/20 0.80
KIT P10721 3/20 0.80
BCR P11274 3/20 0.80
MAPK14 Q16539 3/20 0.80
EPHB6 O15197 2/20 0.80
CSF1R P07333 2/20 0.80
RET P07949 2/20 0.80
BRAF P15056 2/20 0.80
EPHA1 P21709 2/20 0.80
EPHA2 P29317 2/20 0.80
EPHA3 P29320 2/20 0.80
EPHA8 P29322 2/20 0.80
EPHB2 P29323 2/20 0.80

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
SCHEMBL13626293 0.96 ABL1 (0.89) ABL1SRCLCKEGFRFYN
SCHEMBL31634946 0.93 ABL1 (0.84) ABL1SRCLCKEGFRFYN
SCHEMBL20470036 0.93 ABL1 (0.84) ABL1SRCLCKEGFRFYN
SCHEMBL20042552 0.93 ABL1 (0.86) ABL1SRCLCKEGFRFYN
SCHEMBL19439662 0.92 ABL1 (0.82) ABL1SRCLCKEGFRFYN
SCHEMBL20042547 0.92 ABL1 (0.85) ABL1SRCLCKEGFRFYN
SCHEMBL22964603 0.91 ABL1 (0.81) ABL1SRCLCKEGFRFYN
SCHEMBL21340693 0.90 ABL1 (0.80) ABL1SRCLCKEGFRFYN
SCHEMBL28914780 0.90 ABL1 (0.88) ABL1SRCLCKEGFRFYN
SCHEMBL24413656 0.90 ABL1 (0.80) ABL1SRCLCKEGFRFYN

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-2022225728-A2 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. (US) 2022-10-27 WO disclosed