SCHEMBL6313422

SCHEMBL6313422

CCN(CC)CCNC(=O)c1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.60
AURKA O14965 3/20 0.56
AURKB Q96GD4 3/20 0.56
CDK2 P24941 4/20 0.54
CCNT1 O60563 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK9 P50750 1/20 0.54
CCNA1 P78396 1/20 0.54
EGFR P00533 2/20 0.50
INSR P06213 2/20 0.50
MET P08581 2/20 0.50
KDR P35968 2/20 0.50
TEK Q02763 2/20 0.50
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
IKBKG Q9Y6K9 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK4 P11802 1/20 0.47

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
SCHEMBL6311579 0.80 AURKA (0.73) IGF1RAURKAAURKBCDK2EGFR
Hydrochloric Acid SCHEMBL15966728 0.76 IGF1R (0.53) IGF1RAURKAAURKBCDK2CCNT1
SCHEMBL4820777 0.76 CDK2 (0.55) IGF1RAURKAAURKBCDK2CCNT1
SCHEMBL7469727 0.76 CDK2 (0.59) IGF1RCDK2CCNT1CCNA2CDK9
SCHEMBL4457626 0.75 IGF1R (0.75) IGF1RAURKAAURKBCDK2CCNT1
SCHEMBL6312261 0.75 IGF1R (0.60) IGF1RAURKAAURKBCDK2EGFR
SCHEMBL6311161 0.74 IGF1R (0.66) IGF1RAURKACDK2EGFRINSR
SCHEMBL3389918 0.73 CCR4 (0.54) IGF1RCDK2EGFRINSRMET
SCHEMBL15922813 0.73 DNMT1 (0.63) ALDH1A1SMN1; SMN2
SCHEMBL6312556 0.73 IGF1R (0.69) IGF1RAURKACDK2EGFRINSR

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
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed