SCHEMBL2943633

SCHEMBL2943633

CC1(C)CCC(=O)N(N(c2ccc(N3CCOCC3)cc2-n2cccn2)c2nc(Cl)ncc2Cl)c2ccc(Nc3ncc(Cl)c(Nc4ccc(N5CCOCC5)cc4-n4cccn4)n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.42
CCND3 P30281 2/20 0.42
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK9 P45984 5/20 0.41
MAPK10 P53779 5/20 0.41
INSR P06213 4/20 0.41
PKMYT1 Q99640 2/20 0.41
IGF1R P08069 1/20 0.41
PTK2 Q05397 1/20 0.41
PTK2B Q14289 1/20 0.41
MET P08581 2/20 0.40
SLC2A1 P11166 1/20 0.40
ULK1 O75385 1/20 0.39
ALK Q9UM73 2/20 0.39
BRD4 O60885 2/20 0.39
EGFR P00533 3/20 0.39
MAPK8 P45983 2/20 0.39

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
SCHEMBL2943631 0.83 MET (0.54) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL886504 0.82 MET (0.57) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL885830 0.75 INSR (0.46) MAPK9MAPK10INSRPTK2MET
SCHEMBL886461 0.75 MET (0.57) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL2063012 0.75 INSR (0.51) INSRPTK2METALKEGFR
SCHEMBL2061747 0.75 INSR (0.51) CCNKCCND3CDK9CDK6CCNA2
SCHEMBL2061204 0.73 ALK (0.64) CDK2MAPK9MAPK10INSRIGF1R
SCHEMBL885690 0.72 MET (0.57) INSRIGF1RPTK2METSLC2A1
SCHEMBL2061620 0.72 ALK (0.69) CDK2MAPK9MAPK10INSRIGF1R
SCHEMBL16965975 0.71 MET (0.55) INSRIGF1RPTK2METALK

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