SCHEMBL1755841

SCHEMBL1755841

CCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.78
KDR P35968 3/20 0.78
INSR P06213 1/20 0.65
SRPK2 P78362 2/20 0.63
SRPK1 Q96SB4 2/20 0.63
EML4 Q9HC35 2/20 0.63
GAK O14976 1/20 0.63
ACOX3 O15254 1/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
EGFR P00533 1/20 0.63
ESR1 P03372 1/20 0.63
PGR P06401 1/20 0.63
RET P07949 1/20 0.63
ROS1 P08922 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
PHKG2 P15735 1/20 0.63
FER P16591 1/20 0.63
EPHA1 P21709 1/20 0.63
DRD1 P21728 1/20 0.63

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
SCHEMBL1755985 0.97 ALK (0.77) ALKKDRINSRSRPK2SRPK1
SCHEMBL7807954 0.94 ALK (0.79) ALKKDRINSRSRPK2SRPK1
SCHEMBL7819778 0.91 ALK (0.78) ALKKDRINSRSRPK2SRPK1
SCHEMBL1755898 0.91 ALK (0.74) ALKKDRINSRSRPK2SRPK1
SCHEMBL1756022 0.89 ALK (0.79) ALKKDRINSRSRPK2SRPK1
SCHEMBL7817121 0.89 ALK (0.63) ALKKDR
SCHEMBL7800558 0.89 ALK (0.63) ALKKDR
SCHEMBL10283130 0.89 ALK (0.64) ALKKDRINSRSRPK2SRPK1
SCHEMBL7815503 0.88 ALK (0.78) ALKKDRINSR
SCHEMBL1755998 0.88 ALK (0.76) ALKKDRINSRSRPK2SRPK1

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed