SCHEMBL19928100

SCHEMBL19928100

CN1CCN(c2ccc(-c3n[nH]c4ccccc34)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 4/20 0.55
FLT3 P36888 4/20 0.55
AURKA O14965 2/20 0.55
TNKS O95271 3/20 0.54
NTRK1 P04629 5/20 0.53
MAP4K1 Q92918 1/20 0.51
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
KDR P35968 2/20 0.49
ETV6 P41212 1/20 0.49
LRRK2 Q5S007 2/20 0.49
TDO2 P48775 1/20 0.49
AURKB Q96GD4 3/20 0.48

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
SCHEMBL5873090 0.87 PLK4 (0.47) PLK4FLT3AURKATNKSNTRK1
SCHEMBL29602504 0.85 LRRK2 (0.68) NTRK1FGFR1FLT1KDRETV6
SCHEMBL5872977 0.84 TNKS (0.46) PLK4FLT3AURKATNKSNTRK1
SCHEMBL19928117 0.84 PLK4 (0.58) PLK4FLT3AURKATNKSNTRK1
SCHEMBL18930828 0.81 FGFR1 (0.63) MAP4K1FGFR1FLT1LRRK2
SCHEMBL16025465 0.81 LRRK2 (0.74) PLK4FLT3MAP4K1FGFR1FLT1
SCHEMBL6521241 0.80 LRRK2 (0.53) PLK4FLT3AURKANTRK1MAP4K1
SCHEMBL585871 0.80 PLK4 (0.54) PLK4FLT3AURKATNKSMAP4K1
SCHEMBL21179906 0.77 PLK4 (0.59) PLK4FLT3AURKATNKSNTRK1
SCHEMBL5872877 0.77 LRRK2 (0.46) NTRK1KDRETV6LRRK2

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
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed