SCHEMBL93524

SCHEMBL93524

CN1CCN(c2ccc(Nc3ncc(Cl)c(Sc4cccc(C=CC(N)=O)c4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 5/20 0.57
MAP2K1 Q02750 3/20 0.57
SLC2A1 P11166 1/20 0.53
BTK Q06187 1/20 0.51
ALK Q9UM73 1/20 0.50
MAPK1 P28482 2/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
JAK3 P52333 2/20 0.49
EGFR P00533 2/20 0.49
JAK2 O60674 1/20 0.49
BLK P51451 1/20 0.49
BMX P51813 1/20 0.49
LCK P06239 1/20 0.49
MAPK14 Q16539 1/20 0.49
BRD4 O60885 6/20 0.48
CTSC P53634 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL93511 0.82 EGFR (0.69) MAP3K7MAP2K1SLC2A1BTKALK
SCHEMBL93523 0.82 MAP3K7 (0.74) MAP3K7MAP2K1BTKMAPK1FGFR1
SCHEMBL30854787 0.82 MAP3K7 (0.74) MAP3K7MAP2K1BTKMAPK1FGFR1
SCHEMBL29352639 0.82 MAP3K7 (0.74) MAP3K7MAP2K1BTKMAPK1FGFR1
SCHEMBL16513550 0.79 BRD4 (0.53) MAP3K7MAP2K1SLC2A1BTKALK
SCHEMBL16514634 0.74 BRD4 (0.53) SLC2A1BTKFGFR1JAK3EGFR
SCHEMBL19970912 0.73 EGFR (0.68) MAP3K7MAP2K1BTKALKMAPK1
SCHEMBL16513811 0.72 BRD4 (0.60) SLC2A1BTKFGFR1EGFRJAK2
SCHEMBL16513994 0.72 EGFR (0.63) FGFR1JAK3EGFRJAK2BRD4
SCHEMBL10127876 0.71 JAK3 (0.80) BTKALKJAK3EGFRJAK2

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
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed