SCHEMBL3424283

SCHEMBL3424283

COc1cccc(OC)c1CNC(=O)Nc1snc(OCCc2cccnc2)c1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.64
TGFBR2 P37173 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 15/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL414392 0.92 ACVR2A (0.76) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL3359460 0.84 ACVR2A (0.61) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL3358718 0.84 ACVR2A (0.59) ACVR2ATGFBR2KDM4EALDH1A1HPGD
SCHEMBL414121 0.82 ACVR2A (0.53) ACVR2ATGFBR2L3MBTL1NAMPTKMT2A
SCHEMBL21932072 0.79 ACVR2A (0.80) ACVR2ATGFBR2L3MBTL1NAMPT
SCHEMBL411369 0.78 ACVR2A (1.00) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL411189 0.78 ACVR2A (0.79) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL413609 0.78 ACVR2A (0.70) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL412125 0.77 ACVR2A (0.70) ACVR2ATGFBR2L3MBTL1NAMPTKDM4E
SCHEMBL413843 0.76 ACVR2A (0.78) ACVR2ATGFBR2NAMPTKMT2A

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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed