SCHEMBL1756003

SCHEMBL1756003

COc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.63
KDR P35968 4/20 0.60
KIT P10721 2/20 0.51
INSR P06213 1/20 0.50

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
SCHEMBL7806864 0.93 ALK (0.59) ALKKDRKIT
SCHEMBL1755931 0.91 ALK (0.61) ALKKDRKIT
SCHEMBL7807175 0.90 ALK (0.67) ALKKDRKIT
SCHEMBL7800558 0.88 ALK (0.63) ALKKDRKIT
SCHEMBL7817121 0.88 ALK (0.63) ALKKDRKIT
SCHEMBL898126 0.88 ALK (0.81) ALKKDRKITINSR
SCHEMBL7815503 0.87 ALK (0.78) ALKKDRKITINSR
SCHEMBL1755841 0.87 ALK (0.78) ALKKDRINSR
SCHEMBL10272278 0.87 ALK (0.65) ALKKDRKITINSR
SCHEMBL7811258 0.87 ALK (0.54) ALKKDRINSR

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed