SCHEMBL3359466

SCHEMBL3359466

CN(C(=O)Nc1ccccn1)c1snc(OCCc2cccnc2)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.42
TGFBR2 P37173 1/20 0.42
TSHR P16473 1/20 0.37
GCK P35557 1/20 0.36
CHRNA7 P36544 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
NTRK1 P04629 1/20 0.34
HTT P42858 1/20 0.34
ATR Q13535 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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 0.75 ACVR2A (0.59) ACVR2ATGFBR2TSHRGCKCHRNA7
SCHEMBL3359460 0.74 ACVR2A (0.61) ACVR2ATGFBR2TSHRALDH1A1NPC1
SCHEMBL3087669 0.70 ACVR2A (0.42) ACVR2ATGFBR2CYP11B1CYP11B2ALDH1A1
SCHEMBL3424283 0.68 ACVR2A (0.64) ACVR2ATGFBR2TSHRALDH1A1
SCHEMBL3091696 0.66 ACVR2A (0.42) ACVR2ATGFBR2ALDH1A1HTTNPC1
SCHEMBL3083668 0.65 ACVR2A (0.41) ACVR2ATGFBR2ALDH1A1HTT
SCHEMBL412782 0.65 ACVR2A (0.71) ACVR2ATGFBR2TSHRALDH1A1NTRK1
SCHEMBL410503 0.64 ACVR2A (0.68) ACVR2ATGFBR2NPC1RAB9A
SCHEMBL2815739 0.64 KMT2A (0.63) TSHRALDH1A1GAAHTTNPC1
SCHEMBL412983 0.63 ACVR2A (0.40) ACVR2ATGFBR2ALDH1A1NTRK1

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