SCHEMBL6035935

SCHEMBL6035935

Cc1ccc(C(=O)NCN2CCN(C)CC2)cc1-c1ccccc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.60
BCR P11274 17/20 0.60
KIT P10721 6/20 0.60
PDGFRB P09619 6/20 0.60
LYN P07948 4/20 0.60
PDGFRA P16234 4/20 0.60
SRC P12931 2/20 0.60
SYK P43405 2/20 0.60
PLK4 O00444 1/20 0.60
DDX3X O00571 1/20 0.60
GAK O14976 1/20 0.60
SLC22A2 O15244 1/20 0.60
MAPK13 O15264 1/20 0.60
CA12 O43570 1/20 0.60
SLC22A3 O75751 1/20 0.60
ABCB11 O95342 1/20 0.60
EGFR P00533 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL1928153 0.83 ABL1 (0.68) ABL1BCRKITPDGFRBLYN
SCHEMBL26861029 0.79 ABL1 (0.81) ABL1BCRKITPDGFRBLYN
SCHEMBL1653891 0.78 ABL1 (0.77) ABL1BCRKITPDGFRBLYN
SCHEMBL1928390 0.77 ABL1 (0.91) ABL1BCRKITPDGFRBLYN
SCHEMBL1927680 0.77 ABL1 (0.75) ABL1BCRKITPDGFRBLYN
SCHEMBL14274089 0.77 ABL1 (0.70) ABL1BCRKITPDGFRBLYN
SCHEMBL27935065 0.76 ABL1 (0.78) ABL1BCRKITPDGFRBLYN
SCHEMBL3567918 0.76 ABL1 (0.88) ABL1BCRKITPDGFRBLYN
SCHEMBL1926898 0.76 ABL1 (0.66) ABL1BCRKITPDGFRBLYN
Imatinib SCHEMBL2236091 0.75 ABL1 (1.00) ABL1BCRKITPDGFRBLYN

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
US-20060148058-A1 Organic compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-06 US disclosed