SCHEMBL2943631

SCHEMBL2943631

CC1(C)CCC(=O)Nc2ccc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4-n4cccn4)n3)cc21.Clc1ncc(Cl)c(Nc2ccc(N3CCOCC3)cc2-n2cccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.54
INSR P06213 6/20 0.54
CDK2 P24941 2/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
PKMYT1 Q99640 2/20 0.44
IGF1R P08069 2/20 0.44
PTK2 Q05397 2/20 0.44
PTK2B Q14289 2/20 0.44
SLC2A1 P11166 1/20 0.44
EGFR P00533 4/20 0.43
ALK Q9UM73 2/20 0.43
AXL P30530 1/20 0.43
ULK1 O75385 1/20 0.43
BRD4 O60885 2/20 0.42
MAPK9 P45984 3/20 0.42
MAPK10 P53779 3/20 0.42

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
SCHEMBL886504 0.97 MET (0.57) METINSRCDK2CCNKCCNA2
SCHEMBL886461 0.90 MET (0.57) METINSRCDK2CCNKCCNA2
SCHEMBL885690 0.87 MET (0.57) METINSRIGF1RPTK2SLC2A1
SCHEMBL16965975 0.85 MET (0.55) METINSRIGF1RPTK2EGFR
SCHEMBL886201 0.85 MET (0.68) METINSRPTK2ALKAXL
SCHEMBL2061961 0.84 MET (0.59) METINSRPTK2EGFRALK
SCHEMBL2061111 0.84 MET (0.54) METINSRPTK2EGFRALK
SCHEMBL2943633 0.83 CCNK (0.42) METINSRCDK2CCNKCCNA2
SCHEMBL2061747 0.80 INSR (0.51) METINSRCDK2CCNKCCNA2
SCHEMBL2061583 0.78 ALK (0.65) METINSRCDK2IGF1RPTK2

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed