SCHEMBL3358718

SCHEMBL3358718

CNC(=O)Nc1snc(OCCc2cccnc2)c1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.59
TGFBR2 P37173 1/20 0.59
NTRK1 P04629 12/20 0.44
MAPK8 P45983 1/20 0.39
CHRNA7 P36544 2/20 0.38
RECQL P46063 1/20 0.37
KDR P35968 1/20 0.37
GCK P35557 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL412782 0.90 ACVR2A (0.71) ACVR2ATGFBR2NTRK1MAPK8RECQL
SCHEMBL3359460 0.85 ACVR2A (0.61) ACVR2ATGFBR2KDM4EALDH1A1HPGD
SCHEMBL3424283 0.84 ACVR2A (0.64) ACVR2ATGFBR2KDM4EALDH1A1HPGD
SCHEMBL3071232 0.79 ACVR2A (0.53) ACVR2ATGFBR2NTRK1KDM4EALDH1A1
SCHEMBL3078292 0.78 NTRK1 (0.46) ACVR2ATGFBR2NTRK1KDRKMT2A
SCHEMBL410503 0.78 ACVR2A (0.68) ACVR2ATGFBR2KDRKMT2A
SCHEMBL413792 0.77 ACVR2A (0.70) ACVR2ATGFBR2NTRK1MAPK8RECQL
SCHEMBL411189 0.77 ACVR2A (0.79) ACVR2ATGFBR2RECQLKDM4EALDH1A1
SCHEMBL414446 0.77 ACVR2A (0.64) ACVR2ATGFBR2KDR
SCHEMBL409761 0.77 ACVR2A (0.47) ACVR2ATGFBR2NTRK1ALDH1A1HPGD

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