SCHEMBL14214545

SCHEMBL14214545

Cc1cccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
PIK3CA P42336 3/20 0.46
MTOR P42345 3/20 0.46
TNNI3K Q59H18 1/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45

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
SCHEMBL14214544 0.87 PIK3CA (0.46) AURKAPIK3CAMTORSCN9ALCK
SCHEMBL14214537 0.87 PIK3CA (0.61) AURKAPIK3CAMTORLCKKDR
SCHEMBL14214630 0.83 LCK (0.51) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL14214540 0.81 GSK3B (0.43) AURKAPIK3CAMTORGABRPGABRD
SCHEMBL14214546 0.81 PIK3CA (0.48) AURKAPIK3CAMTORGABRPGABRD
SCHEMBL14214629 0.81 GABRP (0.46) AURKAGABRPGABRDGABRA1GABRB1
SCHEMBL14214683 0.81 SYK (0.42) PIK3CAMTORLCKKDRMAPK14
SCHEMBL14214536 0.81 MAPK1 (0.50) PIK3CAMTORGABRPGABRDGABRA1
SCHEMBL14214622 0.78 LCK (0.43) AURKAPIK3CAMTORGABRPGABRD
SCHEMBL14214543 0.78 CCNT1 (0.46) AURKAPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed