SCHEMBL7751909

SCHEMBL7751909

CC(=O)CCc1cc2c(N3CCC[C@H]3C(N)=O)nc(-c3ccccc3)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.43
ELANE P08246 2/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.39
ACVR1 Q04771 2/20 0.39
PKM P14618 1/20 0.38
DPP4 P27487 2/20 0.37
SCN9A Q15858 4/20 0.37
FPR2 P25090 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
AR P10275 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
SCHEMBL4249474 0.93 MAT2A (0.44) MAT2AELANEPOLBTSHRACVR1
SCHEMBL4249465 0.93 MAT2A (0.44) MAT2AELANEPOLBTSHRACVR1
SCHEMBL7751423 0.88 MAT2A (0.40) MAT2AELANEPOLBTSHRACVR1
SCHEMBL7752199 0.87 ELANE (0.42) MAT2AELANEPOLBTSHRACVR1
SCHEMBL4083507 0.86 MAT2A (0.43) MAT2AELANEPOLBTSHRACVR1
SCHEMBL7751002 0.86 MAT2A (0.43) MAT2AELANEPOLBTSHRACVR1
SCHEMBL7751006 0.84 MAT2A (0.46) MAT2AELANEPOLBTSHRACVR1
SCHEMBL4078297 0.84 MAT2A (0.47) MAT2AELANEPOLBTSHRACVR1
SCHEMBL4084126 0.84 MAT2A (0.47) MAT2AELANEPOLBTSHRACVR1
SCHEMBL4077829 0.84 MAT2A (0.43) MAT2AELANEPOLBTSHRACVR1

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