SCHEMBL10272633

SCHEMBL10272633

C[S+]([O-])N1CCC(Oc2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.75
ABL1 P00519 1/20 0.59
INSR P06213 1/20 0.59
IGF1R P08069 1/20 0.59
MET P08581 1/20 0.59
SRC P12931 1/20 0.59
FGFR2 P21802 1/20 0.59
KDR P35968 1/20 0.59

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
SCHEMBL897265 0.90 ALK (0.83) ALK
SCHEMBL20004126 0.88 ALK (0.78) ALK
SCHEMBL896989 0.87 ALK (0.77) ALK
SCHEMBL897337 0.87 ALK (0.82) ALK
SCHEMBL897303 0.87 ALK (0.80) ALK
SCHEMBL897227 0.86 ALK (1.00) ALKIGF1RSRCKDR
SCHEMBL897215 0.85 ALK (0.83) ALKIGF1RSRCKDR
SCHEMBL896658 0.85 ALK (1.00) ALK
SCHEMBL897117 0.85 ALK (0.85) ALK
SCHEMBL20004582 0.84 ALK (0.60) ALKABL1INSRIGF1RMET

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed