SCHEMBL5226878

SCHEMBL5226878

O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(F)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.62
CSNK1D P48730 2/20 0.59
CSNK1G2 P78368 2/20 0.59
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
HDAC11 Q96DB2 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALOX12 P18054 1/20 0.48
IRAK4 Q9NWZ3 4/20 0.47
CDK9 P50750 2/20 0.46
DYRK3 O43781 1/20 0.46
ABL1 P00519 1/20 0.46
CDK1 P06493 1/20 0.46
CSF1R P07333 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PHKG2 P15735 1/20 0.46

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
SCHEMBL2891699 0.87 RIPK1 (0.62) RIPK1CSNK1DCSNK1G2MAPTSAE1
SCHEMBL17488031 0.81 RIPK1 (0.51) RIPK1MAPTPOLBMEN1KMT2A
SCHEMBL17488032 0.81 RAB9A (0.67) MAPTMEN1KMT2AIRAK4ALDH1A1
SCHEMBL17488168 0.80 RIPK1 (0.55) RIPK1MAPTMEN1KMT2AIRAK4
SCHEMBL1701289 0.79 RIPK1 (0.71) RIPK1CSNK1DCSNK1G2MAPTHDAC11
SCHEMBL19329541 0.78 RIPK1 (0.54) RIPK1CSNK1DCSNK1G2MAPTPOLB
SCHEMBL3183535 0.77 MAPT (0.66) MAPTPOLBSAE1UBA2MEN1
SCHEMBL4446981 0.77 NPC1 (0.59) RIPK1CSNK1DCSNK1G2MAPTHDAC11
SCHEMBL2891701 0.77 RIPK1 (0.77) RIPK1CSNK1DCSNK1G2MAPTPOLB
SCHEMBL20685316 0.76 SMN1; SMN2 (0.43) RIPK1CSNK1DCSNK1G2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed