SCHEMBL7751006

SCHEMBL7751006

CC(=O)c1cc2c(N3CCC[C@H]3C(N)=O)nc(-c3ccccc3)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.46
ELANE P08246 2/20 0.45
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
ACVR1 Q04771 1/20 0.41
SCN9A Q15858 4/20 0.40
FPR2 P25090 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
NUDT1 P36639 1/20 0.39
PIM1 P11309 1/20 0.39
DPP4 P27487 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
AR P10275 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL4077720 0.92 MAT2A (0.47) MAT2AELANETSHRPOLBACVR1
SCHEMBL7749780 0.92 MAT2A (0.47) MAT2AELANETSHRPOLBACVR1
SCHEMBL4078297 0.88 MAT2A (0.47) MAT2AELANETSHRPOLBACVR1
SCHEMBL4084126 0.88 MAT2A (0.47) MAT2AELANETSHRPOLBACVR1
SCHEMBL7751909 0.84 MAT2A (0.43) MAT2AELANETSHRPOLBACVR1
SCHEMBL4083507 0.83 MAT2A (0.43) MAT2AELANETSHRPOLBACVR1
SCHEMBL5675162 0.83 MAT2A (0.44) MAT2AELANETSHRPOLBSCN9A
SCHEMBL7751002 0.82 MAT2A (0.43) MAT2AELANETSHRPOLBACVR1
SCHEMBL7752199 0.82 ELANE (0.42) MAT2AELANETSHRPOLBACVR1
SCHEMBL4249465 0.82 MAT2A (0.44) MAT2AELANETSHRPOLBACVR1

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
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed