SCHEMBL6946172

SCHEMBL6946172

c1nc2cnc(C3CCCC3)nc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.35
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
AURKA O14965 3/20 0.33
JAK1 P23458 3/20 0.33
KDR P35968 3/20 0.33
FLT3 P36888 2/20 0.33
TYK2 P29597 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
IP6K1 Q92551 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDE5A O76074 1/20 0.31
OGG1 O15527 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JAK2 O60674 2/20 0.31

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
SCHEMBL10600434 0.98 PAK1 (0.37) PAK1LMNAHTTAURKAJAK1
Hydrochloric Acid SCHEMBL6821627 0.98 PAK1 (0.34) PAK1LMNAHTTAURKAJAK1
SCHEMBL9565545 0.97 CCNE1 (0.34) PAK1LMNAHTTAURKAJAK1
SCHEMBL4373719 0.81 HRH3 (0.36)
SCHEMBL9854783 0.77 MAPK8 (0.30)
SCHEMBL4156180 0.76 MAPK8 (0.35) PAK1AURKA
SCHEMBL8710206 0.75
SCHEMBL7662487 0.73 PAK1 (0.60) PAK1LMNAHTTFLT3PKM
SCHEMBL2953146 0.73
SCHEMBL5355503 0.72 JAK1 (0.42) AURKAJAK1KDRFLT3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP claimed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO claimed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
EP-1056745-A2 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043676-A2 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
EP-0481754-B1 Hydroxymethyl(methylenecyclopentyl)Purines and Pyrimidines SQUIBB & SONS INC (US) 1997-08-20 EP disclosed
EP-0338842-A1 Cyclopentyl purine derivatives, intermediates and processes for preparation SCHERING CORPORATION (US) 1989-10-25 EP disclosed
EP-0181129-B1 N6-SUBSTITUTED DEOXYRIBOSE ANALOGS OF ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-03-08 EP disclosed
EP-0181129-A2 N6-substituted deoxyribose analogs of adenosines WARNER-LAMBERT COMPANY (US) 1986-05-14 EP disclosed