SCHEMBL2317952

SCHEMBL2317952

CC(=O)N(c1nccc(-c2cccnc2)n1)c1cc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.70
BCR P11274 16/20 0.70
KIT P10721 10/20 0.70
ABL2 P42684 5/20 0.70
PDGFRA P16234 4/20 0.70
PDGFRB P09619 3/20 0.70
SRC P12931 3/20 0.70
EGFR P00533 3/20 0.70
LYN P07948 3/20 0.70
SYK P43405 2/20 0.70
ERBB2 P04626 2/20 0.70
LCK P06239 2/20 0.70
FYN P06241 2/20 0.70
CSF1R P07333 2/20 0.70
FGR P09769 2/20 0.70
BRAF P15056 2/20 0.70
NQO2 P16083 2/20 0.70
EPHA8 P29322 2/20 0.70
FRK P42685 2/20 0.70
BLK P51451 2/20 0.70

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
SCHEMBL10075315 0.94 ABL1 (0.70) ABL1BCRKITABL2PDGFRA
SCHEMBL8191704 0.91 ABL1 (0.72) ABL1BCRKITABL2PDGFRA
SCHEMBL23258781 0.90 ABL1 (0.71) ABL1BCRKITABL2PDGFRA
SCHEMBL10109122 0.89 ABL1 (0.72) ABL1BCRKITABL2PDGFRA
SCHEMBL22844038 0.87 PDGFRA (0.57) ABL1BCRKITABL2PDGFRA
SCHEMBL18561676 0.86 ABL1 (0.60) ABL1BCRKITABL2PDGFRA
SCHEMBL27810491 0.85 ABL1 (0.78) ABL1BCRKITABL2PDGFRA
SCHEMBL16606207 0.83 ABL1 (0.74) ABL1BCRKITABL2PDGFRA
SCHEMBL13524666 0.83 ABL1 (0.73) ABL1BCRKITABL2PDGFRA
Imatinib SCHEMBL2236091 0.83 ABL1 (1.00) ABL1BCRKITABL2PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN claimed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN claimed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 CN claimed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 CN claimed
WO-2011095835-A1 HIGHLY PURE IMATINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-08-11 WO claimed
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 CN disclosed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 CN disclosed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 CN disclosed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 CN disclosed
WO-2011095835-A1 HIGHLY PURE IMATINIB OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-08-11 WO disclosed