SCHEMBL14607342

SCHEMBL14607342

CCN(CC)CCNC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(Cl)c3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.62
CDK2 P24941 3/20 0.59
CCNT1 O60563 2/20 0.59
CDK9 P50750 2/20 0.59
CCNE1 P24864 1/20 0.59
IGF1R P08069 4/20 0.53
AURKB Q96GD4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNA1 P78396 1/20 0.48
JAK2 O60674 1/20 0.48
FLT1 P17948 1/20 0.48
JAK1 P23458 1/20 0.48
FLT4 P35916 1/20 0.48
BLK P51451 1/20 0.48
JAK3 P52333 1/20 0.48
TBK1 Q9UHD2 1/20 0.48

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
SCHEMBL14607300 0.91 AURKA (0.57) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL14607344 0.91 BCL6 (0.59) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL14607296 0.85 AURKA (0.61) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL14607298 0.80 IGF1R (0.59) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL2104075 0.80 BCL6 (0.63) JAK3
SCHEMBL14607301 0.79 AURKA (0.52) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL2101439 0.79 AURKA (0.48) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL2103534 0.79 AURKA (0.73) AURKACDK2AURKBGSK3AGSK3B
SCHEMBL14607294 0.78 AURKA (0.56) AURKACDK2CCNT1CDK9CCNE1
SCHEMBL5261848 0.77 IGF1R (0.74) AURKACDK2CCNT1CDK9CCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027238-A2 JAK KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 WO disclosed