SCHEMBL12835166

SCHEMBL12835166

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(CN2CCN(CCCNC)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
STAT3 P40763 1/20 0.46
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL763610 0.90 KIF11 (0.49) KIF11LMNASTAT3MAPK1NPSR1
SCHEMBL8403289 0.89 KIF11 (0.51) KIF11LMNASTAT3MAPK1NPSR1
SCHEMBL763964 0.83 KIF11 (0.63) KIF11KDM4EMAPTLMNASTAT3
SCHEMBL11912465 0.82 KIF11 (0.51) KIF11LMNASTAT3
SCHEMBL763471 0.81 KIF11 (0.61) KIF11STAT3
SCHEMBL764038 0.81 KIF11 (0.73) KIF11
SCHEMBL764897 0.81 KIF11 (0.64) KIF11MAPTLMNA
SCHEMBL22238474 0.81 KIF11 (0.51) KIF11KDM4EMAPTLMNA
SCHEMBL763417 0.80 KIF11 (0.60) KIF11MAPTLMNA
SCHEMBL8403169 0.80 KIF11 (0.56) KIF11KDM4EMAPT

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-2298304-A2 Carboline derivatives useful in the treatment of cancer PTC Therapeutics, Inc. (US) 2011-03-23 EP disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO disclosed