SCHEMBL4377531

SCHEMBL4377531

CC(C)(C)N(C(=O)O)c1ccccc1C(=O)Nc1cccc(Nc2cc(-c3cccc4c3oc3ccccc34)ncn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.42
PIP4K2A P48426 4/20 0.39
PIP4K2B P78356 4/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
CCNT1 O60563 7/20 0.37
CDK9 P50750 7/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA2A P29274 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL4372010 0.95 PIP4K2C (0.40) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL4375779 0.88 PIP4K2C (0.50) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL4370078 0.88 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL28527047 0.87 CCNT1 (0.39) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL1244414 0.83 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL1243768 0.83 PIP4K2C (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL1244549 0.83 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL4376878 0.82 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL4375143 0.82 PIP4K2C (0.43) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL4377534 0.81 RXFP1 (0.48) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1

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
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP claimed