SCHEMBL12524282

SCHEMBL12524282

CN1CCC(n2cc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5nccnc45)c3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.49
NTRK1 P04629 1/20 0.42
DYRK1A Q13627 5/20 0.40
WNT1 P04628 1/20 0.40
INPPL1 O15357 2/20 0.39
GSK3B P49841 3/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL12524281 0.91 MAP4K1 (0.47) METNTRK1DYRK1AWNT1GSK3B
SCHEMBL12441209 0.88 MET (0.47) METNTRK1DYRK1AWNT1INPPL1
SCHEMBL319690 0.85 MET (0.52) METNTRK1DYRK1AWNT1INPPL1
Formic Acid SCHEMBL13834691 0.84 MET (0.44) METNTRK1DYRK1AWNT1GSK3B
SCHEMBL13835047 0.84 MET (0.43) METNTRK1DYRK1AWNT1INPPL1
SCHEMBL12440266 0.84 MET (0.43) METNTRK1DYRK1AWNT1INPPL1
SCHEMBL2325088 0.84 MET (0.43) METNTRK1DYRK1AWNT1INPPL1
SCHEMBL12439733 0.82 MET (0.46) METNTRK1DYRK1AWNT1GSK3B
SCHEMBL2328767 0.81 MET (0.42) METNTRK1DYRK1AWNT1GSK3B
SCHEMBL12440209 0.81 MET (0.43) METNTRK1DYRK1AWNT1GSK3B

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
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2683715-B1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 WO disclosed