SCHEMBL4386977

SCHEMBL4386977

Cc1ccc(NC(=O)c2ccc(CN(C(=O)O)C(C)(C)C)cc2)cc1Nc1cc(-c2cccc3c2oc2ccccc23)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.42
PIP4K2B P78356 4/20 0.42
PIP4K2C Q8TBX8 2/20 0.42
PIKFYVE Q9Y2I7 1/20 0.40
KDR P35968 4/20 0.39
TEK Q02763 4/20 0.39
MAPK14 Q16539 4/20 0.39
BRAF P15056 2/20 0.39
RAF1 P04049 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
KIT P10721 2/20 0.38
PDGFRA P16234 2/20 0.38
ABL1 P00519 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LCK P06239 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 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
SCHEMBL4373522 0.92 PIP4K2C (0.46) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT
SCHEMBL4376878 0.91 PIP4K2C (0.49) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT
SCHEMBL1244787 0.89 PIP4K2C (0.44) PIP4K2APIP4K2BPIP4K2CPIKFYVEKDR
SCHEMBL1244498 0.89 KIT (0.48) PIP4K2APIP4K2BPIP4K2CPIKFYVEKDR
Trifluoroacetic Acid SCHEMBL1244403 0.87 KIT (0.44) PIP4K2APIP4K2BPIP4K2CPIKFYVEKDR
SCHEMBL17819005 0.86 NAMPT (0.44) PIP4K2APIP4K2BPIP4K2CPIKFYVEKDR
SCHEMBL4376212 0.86 PIP4K2C (0.44) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT
SCHEMBL28523222 0.86 PIP4K2C (0.44) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT
SCHEMBL4378671 0.86 ADORA2A (0.42) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT
SCHEMBL4375737 0.86 PIP4K2C (0.47) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPT

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