SCHEMBL17186255

SCHEMBL17186255

Nc1nc2c(ncn2CCc2ccc(CCc3ccccc3)cc2)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.75
TK1 P04183 1/20 0.60
XDH P47989 1/20 0.57
HPRT1 P00492 6/20 0.56
ADORA2A P29274 1/20 0.54
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
EDNRA P25101 1/20 0.53
HTR2A P28223 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6268532 0.97 PNP (0.79) PNPTK1XDHHPRT1ADORA2A
Hydrochloric Acid SCHEMBL17186277 0.92 PNP (0.67) PNPTK1XDHHPRT1USP2
Hydrochloric Acid SCHEMBL17186404 0.90 PNP (0.72) PNPTK1XDHHPRT1
SCHEMBL28757633 0.89 PNP (0.62) PNPTK1HPRT1USP2TSHR
Hydrochloric Acid SCHEMBL17186460 0.89 PNP (0.63) PNPTK1XDHHPRT1USP2
SCHEMBL18249 0.86 PNP (1.00) PNPTK1XDH
SCHEMBL1980959 0.85 PNP (0.97) PNPTK1XDH
SCHEMBL17186505 0.84 PNP (0.57) PNPTK1HPRT1BLM
SCHEMBL17186617 0.84 PNP (0.63) PNPTK1HPRT1USP2TSHR
SCHEMBL29286376 0.84 TK1 (0.76) PNPTK1HPRT1USP2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed