SCHEMBL28914780

SCHEMBL28914780

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

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.88
SRC P12931 9/20 0.88
LCK P06239 5/20 0.88
PKMYT1 Q99640 3/20 0.88
EGFR P00533 3/20 0.88
FYN P06241 3/20 0.88
YES1 P07947 3/20 0.88
LYN P07948 3/20 0.88
HCK P08631 3/20 0.88
KIT P10721 3/20 0.88
BCR P11274 3/20 0.88
MAPK14 Q16539 3/20 0.88
EPHB6 O15197 2/20 0.88
CSF1R P07333 2/20 0.88
RET P07949 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

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 0.94 ABL1 (0.89) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL28350326 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL8226 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL29381185 0.94 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
SCHEMBL19362612 0.94 ABL1 (0.85) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL29377489 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL29482416 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL16618598 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL20857008 0.93 ABL1 (0.98) ABL1SRCLCKPKMYT1EGFR
Dasatinib Anhydrous SCHEMBL28432270 0.93 ABL1 (0.98) ABL1SRCLCKPKMYT1EGFR

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-112955447-A Heterocyclic kinase inhibitors and uses thereof 艾欧麦克斯治疗股份公司 2021-06-11 CN disclosed