SCHEMBL1376243

SCHEMBL1376243

Nc1ncc(Oc2ccc(Cl)cc2)c(N[C@H]2CC[C@@H](O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.40
MERTK Q12866 4/20 0.38
AXL P30530 1/20 0.38
CHUK O15111 1/20 0.38
FLT3 P36888 3/20 0.38
TYRO3 Q06418 3/20 0.38
GAS6 Q14393 3/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KCNH2 Q12809 2/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPK14 Q16539 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL5203150 1.00 BTK (0.40) BTKMERTKAXLCHUKFLT3
SCHEMBL1376242 1.00 BTK (0.40) BTKMERTKAXLCHUKFLT3
Hydrochloric Acid SCHEMBL5207321 0.99 BTK (0.39) BTKMERTKAXLCHUKFLT3
Hydrochloric Acid SCHEMBL5207313 0.99 BTK (0.39) BTKMERTKAXLCHUKFLT3
SCHEMBL1375327 0.93 MAPK8 (0.37) BTKMERTKAXLFLT3TYRO3
SCHEMBL1377685 0.93 MAPK8 (0.37) BTKMERTKAXLFLT3TYRO3
SCHEMBL1375330 0.93 MAPK8 (0.37) BTKMERTKAXLFLT3TYRO3
SCHEMBL1375333 0.93 MAPK8 (0.37) BTKMERTKAXLFLT3TYRO3
SCHEMBL1377682 0.93 MAPK8 (0.37) BTKMERTKAXLFLT3TYRO3
SCHEMBL5204420 0.88 LCK (0.46) BTKMERTKAXLCHUKFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4743463-B2 2011-08-10 JP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
JP-2002541245-A 2002-12-03 JP claimed
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed