SCHEMBL29618210

SCHEMBL29618210

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

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.88
SRC P12931 8/20 0.88
LCK P06239 4/20 0.88
PKMYT1 Q99640 3/20 0.88
EPHB6 O15197 2/20 0.88
EGFR P00533 2/20 0.88
FYN P06241 2/20 0.88
CSF1R P07333 2/20 0.88
YES1 P07947 2/20 0.88
LYN P07948 2/20 0.88
RET P07949 2/20 0.88
HCK P08631 2/20 0.88
KIT P10721 2/20 0.88
BCR P11274 2/20 0.88
BRAF P15056 2/20 0.88
EPHA1 P21709 2/20 0.88
EPHA2 P29317 2/20 0.88
EPHA3 P29320 2/20 0.88
EPHA8 P29322 2/20 0.88
EPHB2 P29323 2/20 0.88

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
SCHEMBL3507589 1.00 ABL1 (0.88) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL29618215 0.96 ABL1 (0.87) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL28935340 0.96 ABL1 (0.87) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL8226 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL29381185 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL28350326 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL13164781 0.94 ABL1 (0.88) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL31501075 0.93 ABL1 (0.89) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL16618598 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
SCHEMBL15984308 0.93 ABL1 (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357889-B Protein degradation targeting compound, anti-tumor application thereof, intermediate thereof and application of intermediate 上海科技大学 2022-03-15 CN disclosed