SCHEMBL20004643

SCHEMBL20004643

CN1CCN(Sc2cc3c(cc2OC2CCOCC2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.69
SRPK2 P78362 2/20 0.57
SRPK1 Q96SB4 2/20 0.57
EML4 Q9HC35 2/20 0.57
KDR P35968 4/20 0.55
EGFR P00533 2/20 0.55
RET P07949 2/20 0.55
GAK O14976 1/20 0.55
ACOX3 O15254 1/20 0.55
NR1I2 O75469 1/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
PGR P06401 1/20 0.55
ROS1 P08922 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
PHKG2 P15735 1/20 0.55
FER P16591 1/20 0.55
EPHA1 P21709 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL20004594 0.95 ALK (0.74) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004636 0.88 ALK (0.70) ALKSRPK2SRPK1EML4
SCHEMBL896683 0.86 ALK (0.90) ALKSRPK2SRPK1EML4KDR
SCHEMBL897769 0.83 ALK (0.77) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366526 0.83 ALK (0.63) ALKSRPK2SRPK1EML4KDR
SCHEMBL896930 0.82 ALK (1.00) ALKSRPK2SRPK1EML4KDR
SCHEMBL20366507 0.81 ALK (0.72) ALKSRPK2SRPK1EML4
SCHEMBL16775679 0.81 ALK (0.83) ALKSRPK2SRPK1EML4KDR
SCHEMBL897413 0.81 ALK (0.71) ALKSRPK2SRPK1EML4KDR
SCHEMBL20004641 0.81 ALK (0.65) ALKSRPK2SRPK1EML4KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed