SCHEMBL4378684

SCHEMBL4378684

COCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.42
MPL P40238 3/20 0.40
PIP4K2A P48426 5/20 0.40
PIP4K2B P78356 5/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
MCHR1 Q99705 1/20 0.39
CDK9 P50750 4/20 0.37
CCNT1 O60563 3/20 0.37
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EGFR P00533 2/20 0.36
ERBB3 P21860 2/20 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
SCHEMBL1243760 0.91 PIP4K2C (0.44) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL16415866 0.85 PIP4K2C (0.43) PIP4K2CPIP4K2APIP4K2BPIKFYVEMCHR1
SCHEMBL28532461 0.85 PIP4K2C (0.45) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL4373525 0.84 NAMPT (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK9
SCHEMBL1243624 0.83 PIP4K2C (0.47) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL4378690 0.83 PIP4K2C (0.41) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL1242133 0.83 PIP4K2C (0.50) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL1244613 0.82 PIP4K2C (0.51) PIP4K2CPIP4K2APIP4K2BPIKFYVECDK9
SCHEMBL4378414 0.82 PIP4K2C (0.45) PIP4K2CMPLPIP4K2APIP4K2BPIKFYVE
SCHEMBL4375782 0.82 PIP4K2C (0.54) 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