SCHEMBL7751002

SCHEMBL7751002

CCOCc1cc2c(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
ACVR1 Q04771 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
SCN9A Q15858 5/20 0.39
FPR2 P25090 4/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7751014 0.94 MAT2A (0.41) MAT2AELANEACVR1TSHRPOLB
SCHEMBL7745809 0.93 MAT2A (0.43) MAT2AELANEACVR1TSHRPOLB
SCHEMBL4077829 0.93 MAT2A (0.43) MAT2AELANEACVR1TSHRPOLB
SCHEMBL7752199 0.92 ELANE (0.42) MAT2AELANEACVR1TSHRPOLB
SCHEMBL7745115 0.92 MAT2A (0.42) MAT2AELANEACVR1TSHRPOLB
SCHEMBL4083507 0.92 MAT2A (0.43) MAT2AELANEACVR1TSHRPOLB
SCHEMBL4078860 0.91 ACVR1 (0.43) MAT2AELANEACVR1TSHRPOLB
SCHEMBL7749860 0.91 ACVR1 (0.43) MAT2AELANEACVR1TSHRPOLB
SCHEMBL4254009 0.91 MAT2A (0.42) MAT2AELANEACVR1TSHRPOLB
SCHEMBL7751033 0.91 MAT2A (0.42) MAT2AELANEACVR1TSHRPOLB

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