SCHEMBL7752199

SCHEMBL7752199

CC(=O)COCc1cc2c(N3CCC[C@H]3C(N)=O)nc(-c3ccccc3)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
MAT2A P31153 2/20 0.41
ACVR1 Q04771 2/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 5/20 0.38
FPR2 P25090 4/20 0.38
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
PIM1 P11309 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
SCHEMBL4077829 0.94 MAT2A (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7745809 0.94 MAT2A (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7745115 0.93 MAT2A (0.42) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7749860 0.92 ACVR1 (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL4078860 0.92 ACVR1 (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7751002 0.92 MAT2A (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7751014 0.90 MAT2A (0.41) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL4083507 0.90 MAT2A (0.43) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL4254009 0.89 MAT2A (0.42) ELANEMAT2AACVR1TSHRPOLB
SCHEMBL7751033 0.89 MAT2A (0.42) ELANEMAT2AACVR1TSHRPOLB

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