SCHEMBL4373522

SCHEMBL4373522

CC(C)(C)N(Cc1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.46
PIP4K2A P48426 7/20 0.43
PIP4K2B P78356 7/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADORA2A P29274 1/20 0.40
EGFR P00533 2/20 0.39
ERBB3 P21860 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MCHR1 Q99705 1/20 0.38
CDK9 P50750 4/20 0.38
CCNT1 O60563 3/20 0.38
NPC1 O15118 1/20 0.37
USP2 O75604 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
SCHEMBL4376878 0.95 PIP4K2C (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL28523222 0.94 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4376212 0.94 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4378671 0.94 ADORA2A (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4386977 0.92 PIP4K2A (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVEMAPT
SCHEMBL4382316 0.92 PIP4K2C (0.40) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4379223 0.92 PIP4K2C (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4375735 0.91 CYP1A2 (0.41) PIP4K2CCYP1A2LMNACYP2D6ADORA2A
SCHEMBL1243691 0.91 PIP4K2C (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL1244499 0.91 PIP4K2A (0.49) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2

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