SCHEMBL3359356

SCHEMBL3359356

c1ccc(-n2nccc2-c2ccnc3ccccc23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.56
BMP4 P12644 2/20 0.45
RAB9A P51151 2/20 0.42
HTR2B P41595 1/20 0.42
MTNR1A P48039 1/20 0.42
KCNH2 Q12809 1/20 0.42
TGFBR1 P36897 4/20 0.41
MAPK14 Q16539 3/20 0.41
TGFBR2 P37173 1/20 0.41
ABL2 P42684 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3362290 0.78 GRM4 (0.55) GRM4RAB9AKCNH2KDM4ENPC1
SCHEMBL6448933 0.74 BCHE (0.46) RAB9ACYP1A2KDM4ENPC1ALDH1A1
SCHEMBL22349328 0.73 KDM5A (0.59) RAB9AKDM4EKDM5AKDM4CKDM5B
SCHEMBL1227713 0.71 CYP1A2 (0.60) GRM4BMP4RAB9AHTR2BMTNR1A
SCHEMBL27917128 0.71 CYP1A2 (0.60) GRM4BMP4RAB9AHTR2BMTNR1A
SCHEMBL29699887 0.71 CYP1A2 (0.60) GRM4BMP4RAB9AHTR2BMTNR1A
SCHEMBL6450478 0.71 PDCD1 (0.49) RAB9ACYP1A2KDM4ENPC1ALDH1A1
SCHEMBL30487734 0.69 CYP1A2 (0.58) GRM4BMP4RAB9AHTR2BMTNR1A
SCHEMBL6627903 0.69 TGFBR1 (0.67) GRM4BMP4RAB9ATGFBR1MAPK14
SCHEMBL7918743 0.68 MAPT (0.56) GRM4BMP4RAB9ATGFBR1MAPK14

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