SCHEMBL4375779

SCHEMBL4375779

CC(C)(C)N(C(=O)O)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.50
PIP4K2A P48426 9/20 0.46
PIP4K2B P78356 9/20 0.46
PIKFYVE Q9Y2I7 1/20 0.46
KCNK3 O14649 1/20 0.39
CYP1A2 P05177 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C9 P11712 1/20 0.39
ADORA2A P29274 1/20 0.38
CDK9 P50750 3/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CCNT1 O60563 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4370078 0.93 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL1243662 0.90 PIP4K2C (0.53) PIP4K2CPIP4K2APIP4K2BPIKFYVEKCNK3
SCHEMBL4376878 0.89 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4377531 0.88 PIP4K2C (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL28532461 0.88 PIP4K2C (0.45) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4375143 0.88 PIP4K2C (0.43) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4375737 0.87 PIP4K2C (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL1244782 0.86 PIP4K2C (0.57) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL1243748 0.86 PIP4K2A (0.52) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL1244611 0.85 PIP4K2C (0.53) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK9

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