SCHEMBL3359460

SCHEMBL3359460

NC(=O)c1c(OCCc2cccnc2)nsc1NC(=O)NCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.61
TGFBR2 P37173 1/20 0.61
NAMPT P43490 2/20 0.48
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL3358718 0.85 ACVR2A (0.59) ACVR2ATGFBR2KDM4EALDH1A1HSD17B10
SCHEMBL3424283 0.84 ACVR2A (0.64) ACVR2ATGFBR2NAMPTKDM4EALDH1A1
SCHEMBL411189 0.82 ACVR2A (0.79) ACVR2ATGFBR2NAMPTKDM4EALDH1A1
SCHEMBL412981 0.81 ACVR2A (0.53) ACVR2ATGFBR2NAMPTRAB9ANPC1
SCHEMBL410503 0.79 ACVR2A (0.68) ACVR2ATGFBR2NAMPTRAB9ANPC1
SCHEMBL447681 0.77 ACVR2A (0.78) ACVR2ATGFBR2NAMPTRAB9ANPC1
SCHEMBL413792 0.77 ACVR2A (0.70) ACVR2ATGFBR2KDM4EALDH1A1HSD17B10
SCHEMBL412125 0.77 ACVR2A (0.70) ACVR2ATGFBR2NAMPTALOX15KDM4E
SCHEMBL414446 0.76 ACVR2A (0.64) ACVR2ATGFBR2NAMPT
SCHEMBL3090132 0.76 ACVR2A (0.57) ACVR2ATGFBR2NAMPTRAB9ANPC1

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