SCHEMBL4384207

SCHEMBL4384207

CC(C)(C)N(Cc1ccc(C(=O)Nc2ccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)cc2)c(F)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
LMNA P02545 2/20 0.38
PIP4K2C Q8TBX8 2/20 0.37
CCNT1 O60563 9/20 0.36
CDK9 P50750 9/20 0.36
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
PIP4K2A P48426 3/20 0.35
PIP4K2B P78356 3/20 0.35
PIKFYVE Q9Y2I7 1/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LCK P06239 1/20 0.34

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 0.90 PIP4K2C (0.46) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4378671 0.88 ADORA2A (0.42) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4376893 0.87 CYP1A2 (0.39) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4375735 0.87 CYP1A2 (0.41) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL1243602 0.87 CYP1A2 (0.38) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL1243631 0.87 PLG (0.39) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4384213 0.86 AURKA (0.37) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4382316 0.85 PIP4K2C (0.40) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL4376878 0.85 PIP4K2C (0.49) CYP1A2CYP2D6LMNAPIP4K2CCCNT1
SCHEMBL28523222 0.84 PIP4K2C (0.44) CYP1A2CYP2D6LMNAPIP4K2CCCNT1

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