SCHEMBL4378690

SCHEMBL4378690

COCC(N(C(=O)O)c1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)cc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.41
PIP4K2A P48426 5/20 0.40
PIP4K2B P78356 5/20 0.40
PIKFYVE Q9Y2I7 1/20 0.40
EGFR P00533 2/20 0.39
ERBB3 P21860 2/20 0.39
MCHR1 Q99705 1/20 0.39
ABL1 P00519 5/20 0.38
BCR P11274 5/20 0.38
MPL P40238 2/20 0.37
CDK9 P50750 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCNT1 O60563 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 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
SCHEMBL1243760 0.86 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL1243893 0.83 PIP4K2C (0.51) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL4378684 0.83 PIP4K2C (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL28532461 0.83 PIP4K2C (0.45) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL1243624 0.83 PIP4K2C (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL1242133 0.82 PIP4K2C (0.50) PIP4K2CPIP4K2APIP4K2BPIKFYVEABL1
SCHEMBL4373522 0.82 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
Trifluoroacetic Acid SCHEMBL1243959 0.82 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL1244613 0.82 PIP4K2C (0.51) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR
SCHEMBL4375143 0.81 PIP4K2C (0.43) PIP4K2CPIP4K2APIP4K2BPIKFYVEEGFR

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