SCHEMBL4442004

SCHEMBL4442004

NC1c2ccccc2C(c2ccccc2)=NN1c1ccc(Oc2ccnc3cc(N4CCOCC4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.46
CDK8 P49336 4/20 0.46
MET P08581 1/20 0.40
PRKDC P78527 5/20 0.37
SLC2A1 P11166 1/20 0.37
ACVR1 Q04771 1/20 0.36
ALK Q9UM73 1/20 0.36
GRM4 Q14833 1/20 0.36
KDR P35968 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
BMPR2 Q13873 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4668540 0.72 FEN1 (0.33) CCNCCDK8METBTK
SCHEMBL4438797 0.72 KCNH2 (0.40) METALKGRM4
SCHEMBL2207786 0.70 KDR (0.48) CCNCCDK8SLC2A1KDRKDM4E
SCHEMBL4434315 0.66 MET (0.34) METGRM4KDR
SCHEMBL4442343 0.66 FGFR2 (0.37) CCNCCDK8METALKKDR
SCHEMBL4668233 0.65 AURKA (0.37) KDM4EALDH1A1MAPTHPGD
SCHEMBL20887646 0.64 CCNC (1.00) CCNCCDK8PLK4
SCHEMBL2210999 0.64 CCNC (0.49) CCNCCDK8SLC2A1KDRKDM4E
SCHEMBL33377163 0.63 PRKDC (0.56) CCNCCDK8PRKDCSLC2A1ACVR1
SCHEMBL4441986 0.63 MEN1 (0.45) KDRALDH1A1MAPTHPGDTDP1

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-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed