SCHEMBL20004319

SCHEMBL20004319

CCc1cc2c(cc1N1CC(C)NC(C)C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.77
EML4 Q9HC35 3/20 0.75
SRPK2 P78362 2/20 0.75
SRPK1 Q96SB4 2/20 0.75
KDR P35968 3/20 0.73
INSR P06213 1/20 0.70
GAK O14976 1/20 0.69
ACOX3 O15254 1/20 0.69
NR1I2 O75469 1/20 0.69
ABCB11 O95342 1/20 0.69
EGFR P00533 1/20 0.69
ESR1 P03372 1/20 0.69
PGR P06401 1/20 0.69
RET P07949 1/20 0.69
ROS1 P08922 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
PHKG2 P15735 1/20 0.69
FER P16591 1/20 0.69
EPHA1 P21709 1/20 0.69
DRD1 P21728 1/20 0.69

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
SCHEMBL898529 1.00 ALK (0.77) ALKEML4SRPK2SRPK1KDR
SCHEMBL24852167 0.93 ALK (0.79) ALKEML4SRPK2SRPK1KDR
SCHEMBL897727 0.92 ALK (0.80) ALKEML4SRPK2SRPK1KDR
SCHEMBL897725 0.92 ALK (0.80) ALKEML4SRPK2SRPK1KDR
SCHEMBL21135590 0.89 ALK (0.84) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004793 0.89 ALK (0.77) ALKEML4SRPK2SRPK1KDR
SCHEMBL29962636 0.89 ALK (0.77) ALKEML4SRPK2SRPK1KDR
SCHEMBL898598 0.89 ALK (0.77) ALKEML4SRPK2SRPK1KDR
SCHEMBL7813252 0.87 ALK (0.57) ALKEML4SRPK2SRPK1KDR
SCHEMBL897335 0.87 ALK (1.00) ALKEML4SRPK2SRPK1KDR

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