SCHEMBL6359358

SCHEMBL6359358

Cc1ccc(C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.70
BCR P11274 16/20 0.70
KIT P10721 7/20 0.70
PDGFRB P09619 3/20 0.70
PDGFRA P16234 3/20 0.70
CSF1R P07333 3/20 0.70
BRAF P15056 3/20 0.70
EGFR P00533 2/20 0.70
ERBB2 P04626 2/20 0.70
LCK P06239 2/20 0.70
FYN P06241 2/20 0.70
LYN P07948 2/20 0.70
FGR P09769 2/20 0.70
SRC P12931 2/20 0.70
NQO2 P16083 2/20 0.70
EPHA8 P29322 2/20 0.70
ABL2 P42684 2/20 0.70
FRK P42685 2/20 0.70
BLK P51451 2/20 0.70
DDR1 Q08345 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
SCHEMBL5201864 0.95 ABL1 (0.64) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL717173 0.88 ABL1 (0.88) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL717184 0.88 ABL1 (0.87) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL6359361 0.88 ABL1 (0.58) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL4942072 0.86 ABL1 (0.52) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL715868 0.85 ABL1 (0.69) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL718540 0.83 LCK (0.77) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL5524139 0.83 ABL1 (0.57) ABL1BCRKITPDGFRBPDGFRA
SCHEMBL16085058 0.83 ABL1 (0.89) ABL1BCRKITPDGFRBPDGFRA
Masitinib SCHEMBL29353195 0.83 ABL1 (1.00) ABL1BCRKITPDGFRBPDGFRA

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-2005115385-A1 USE OF C-KIT INHIBITORS FOR TREATING ACNE AB SCIENCE (FR) 2005-12-08 WO disclosed