SCHEMBL11069334

SCHEMBL11069334

CCc1nc(N)ccc1-c1ccnc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.55
PIK3CA P42336 3/20 0.48
ADORA2B P29275 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MAP4K4 O95819 2/20 0.40

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
SCHEMBL7270939 0.86 MTOR (0.45) MTORPIK3CAMAP4K4CCNCCDK8
SCHEMBL7272778 0.81 DYRK1A (0.45) MTORPIK3CAMAPK14DYRK1A
SCHEMBL4619304 0.78 GABRP (0.46) MTORADORA2BGABRPGABRDGABRA1
SCHEMBL3702232 0.77 DYRK1A (0.50) MTORPIK3CAADORA2BMAP4K4CCNC
SCHEMBL12773427 0.76 MTOR (0.63) MTORPIK3CAPIK3CB
SCHEMBL7273135 0.76 MTOR (0.42) MTORPIK3CACCNCCDK8MAPK14
SCHEMBL16060934 0.76 CSF1R (0.43) MTORPIK3CAMAP4K4DYRK1A
SCHEMBL11068665 0.74 ABL1 (0.42)
SCHEMBL11230737 0.74 MTOR (0.40) MTORPIK3CACCNCCDK8MAPK14
SCHEMBL11234214 0.74 MTOR (0.41) MTORPIK3CAMAP4K4CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448780-A N-(Lower-alkyl)-N'-[5-(pyridinyl)-2-pyridinyl]ureas and cardiotonic use thereof STERLING DRUG INC. (US) 1984-05-15 US disclosed
US-4420617-A 5(Pyridinyl)pyridin-2-amines STERLING DRUG INC. (US) 1983-12-13 US disclosed