SCHEMBL20004927

SCHEMBL20004927

C=Cc1ccc2c3c([nH]c2n1)C(C)(C)c1cc(N2CCOCC2)c(CC)cc1C3=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.71
EML4 Q9HC35 3/20 0.53
KDR P35968 3/20 0.53
SRPK2 P78362 2/20 0.53
SRPK1 Q96SB4 2/20 0.53
GAK O14976 1/20 0.53
ACOX3 O15254 1/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
RET P07949 1/20 0.53
ROS1 P08922 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PHKG2 P15735 1/20 0.53
FER P16591 1/20 0.53
EPHA1 P21709 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL24676478 0.86 ALK (0.70) ALKEML4KDRSRPK2SRPK1
SCHEMBL897809 0.85 ALK (0.76) ALKEML4KDRSRPK2SRPK1
SCHEMBL29962625 0.85 ALK (0.76) ALKEML4KDRSRPK2SRPK1
SCHEMBL898282 0.83 ALK (1.00) ALKEML4KDRSRPK2SRPK1
SCHEMBL29962645 0.83 ALK (1.00) ALKEML4KDRSRPK2SRPK1
SCHEMBL24675855 0.81 ALK (0.69) ALKEML4KDRSRPK2SRPK1
SCHEMBL20356881 0.80 ALK (0.74) ALKEML4KDRSRPK2SRPK1
SCHEMBL898158 0.78 ALK (0.82) ALKEML4KDRSRPK2SRPK1
SCHEMBL29962327 0.78 ALK (0.82) ALKEML4KDRSRPK2SRPK1
SCHEMBL24676292 0.77 ALK (0.64) ALKEML4KDRSRPK2SRPK1

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-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