SCHEMBL12524281

SCHEMBL12524281

CN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5nccnc45)c3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.47
MET P08581 5/20 0.44
NTRK1 P04629 1/20 0.41
DYRK1A Q13627 7/20 0.41
WNT1 P04628 2/20 0.41
EGFR P00533 2/20 0.40
GSK3B P49841 5/20 0.40
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL12524282 0.91 MET (0.49) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL2323319 0.89 MET (0.43) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL12527177 0.89 MAP4K1 (0.58) MAP4K1MET
SCHEMBL12495538 0.85 MAP4K1 (0.49) MAP4K1METFGFR1FGFR2FGFR3
SCHEMBL12495426 0.85 MAP4K1 (0.51) MAP4K1METDYRK1AGSK3B
SCHEMBL12440269 0.84 MAP4K1 (0.40) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL2323396 0.84 MAP4K1 (0.40) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL2365416 0.84 MAP4K1 (0.40) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL320961 0.84 MET (0.47) MAP4K1METNTRK1DYRK1AWNT1
SCHEMBL12439733 0.81 MET (0.46) METNTRK1DYRK1AWNT1EGFR

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 5 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
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