SCHEMBL4248183

SCHEMBL4248183

Cc1nn2c(=O)n(Cc3ccccc3)c(C(=O)C(C)C)cc2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
C5AR1 P21730 1/20 0.39
BRD4 O60885 4/20 0.38
MAPT P10636 2/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
NOTUM Q6P988 1/20 0.36
CCR2 P41597 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
PDE1B Q01064 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
SCHEMBL4249149 0.88 ALDH1A1 (0.43) ALDH1A1HPGDC5AR1BRD4MAPT
SCHEMBL4251434 0.81 HPGD (0.43) ALDH1A1HPGDC5AR1BRD4MAPT
SCHEMBL4385913 0.81 ALDH1A1 (0.49) ALDH1A1HPGDC5AR1BRD4MAPT
SCHEMBL4249080 0.80 KDM4E (0.40) ALDH1A1HPGDMAPTTSHRNOTUM
SCHEMBL4251448 0.79 ALDH1A1 (0.41) ALDH1A1HPGDC5AR1BRD4MAPT
SCHEMBL4565630 0.77 ALDH1A1 (0.45) ALDH1A1HPGDC5AR1BRD4MAPT
SCHEMBL4252104 0.71 HPGD (0.41) ALDH1A1HPGDC5AR1MAPTTSHR
SCHEMBL4248796 0.70 KIF11 (0.57) HTT
SCHEMBL4247238 0.70 GNRHR (0.40) ALDH1A1BRD4NPSR1L3MBTL1
SCHEMBL4250501 0.69 ALDH1A1 (0.40) ALDH1A1HPGDC5AR1BRD4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035426-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2009-03-18 EP disclosed
WO-2007144384-A1 PYRAZOLOPYRIMIDONES 4SC AG (DE) 2007-12-21 WO disclosed