SCHEMBL1755878

SCHEMBL1755878

CNS(=O)(=O)c1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.72
KDR P35968 3/20 0.65
KIT P10721 2/20 0.65
SRPK2 P78362 2/20 0.64
SRPK1 Q96SB4 2/20 0.64
EML4 Q9HC35 2/20 0.64
GAK O14976 1/20 0.64
ACOX3 O15254 1/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
EGFR P00533 1/20 0.64
ESR1 P03372 1/20 0.64
PGR P06401 1/20 0.64
RET P07949 1/20 0.64
ROS1 P08922 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
PHKG2 P15735 1/20 0.64
FER P16591 1/20 0.64
EPHA1 P21709 1/20 0.64
DRD1 P21728 1/20 0.64

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
SCHEMBL897924 0.89 ALK (0.76) ALKKDRKITSRPK2SRPK1
SCHEMBL897633 0.85 ALK (0.85) ALKKDRKITSRPK2SRPK1
SCHEMBL897496 0.85 ALK (0.79) ALKKDRKITSRPK2SRPK1
SCHEMBL897984 0.85 ALK (0.78) ALKKDRKITSRPK2SRPK1
SCHEMBL898225 0.85 ALK (0.85) ALKKDRSRPK2SRPK1EML4
SCHEMBL29962217 0.85 ALK (0.85) ALKKDRSRPK2SRPK1EML4
SCHEMBL897753 0.84 ALK (0.78) ALKKDRKITSRPK2SRPK1
SCHEMBL897286 0.84 ALK (1.00) ALKKDRKITSRPK2SRPK1
SCHEMBL897033 0.83 ALK (1.00) ALKKDRKITSRPK2SRPK1
SCHEMBL898111 0.83 ALK (0.75) ALKKDRKITSRPK2SRPK1

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