SCHEMBL5201864

SCHEMBL5201864

Cc1ccc(C(N)=O)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nc(-c2cccnc2)c[nH]1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.64
BCR P11274 16/20 0.64
KIT P10721 6/20 0.64
PDGFRB P09619 3/20 0.64
EGFR P00533 2/20 0.64
ERBB2 P04626 2/20 0.64
LCK P06239 2/20 0.64
FYN P06241 2/20 0.64
CSF1R P07333 2/20 0.64
LYN P07948 2/20 0.64
FGR P09769 2/20 0.64
SRC P12931 2/20 0.64
BRAF P15056 2/20 0.64
NQO2 P16083 2/20 0.64
PDGFRA P16234 2/20 0.64
EPHA8 P29322 2/20 0.64
ABL2 P42684 2/20 0.64
FRK P42685 2/20 0.64
BLK P51451 2/20 0.64
DDR1 Q08345 2/20 0.64

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
SCHEMBL6359358 0.95 ABL1 (0.70) ABL1BCRKITPDGFRBEGFR
SCHEMBL717173 0.84 ABL1 (0.88) ABL1BCRKITPDGFRBEGFR
SCHEMBL717184 0.83 ABL1 (0.87) ABL1BCRKITPDGFRBEGFR
SCHEMBL6359361 0.83 ABL1 (0.58) ABL1BCRKITPDGFRBEGFR
SCHEMBL4942072 0.82 ABL1 (0.52) ABL1BCRKITPDGFRBEGFR
SCHEMBL715868 0.81 ABL1 (0.69) ABL1BCRKITPDGFRBEGFR
SCHEMBL718540 0.80 LCK (0.77) ABL1BCRKITPDGFRBEGFR
SCHEMBL5524139 0.80 ABL1 (0.57) ABL1BCRKITPDGFRBEGFR
SCHEMBL30925633 0.79 ABL1 (0.85) ABL1BCRKITPDGFRBEGFR
SCHEMBL19236040 0.79 ABL1 (0.85) ABL1BCRKITPDGFRBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742633-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB Science (FR) 2007-01-17 EP disclosed
WO-2005102346-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB SCIENCE (FR) 2005-11-03 WO disclosed