SCHEMBL14606105

SCHEMBL14606105

CCc1cc(Nc2cc(Cc3ccccc3)nc(N3C[C@@H]4C[C@H]3CN4)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.46
▸ ITK Q08881 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ PLK4 O00444 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ ROCK2 O75116 4/20 0.44
▸ ROCK1 Q13464 3/20 0.44
▸ GRK6 P43250 8/20 0.38
▸ NTRK1 P04629 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ RET P07949 1/20 0.36

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
SCHEMBL14606101 0.86 LCK (0.46) LCKITKAURKBPLK4PAK4
SCHEMBL14606069 0.81 AURKB (0.46) LCKITKAURKBPLK4PAK4
SCHEMBL14605960 0.81 LCK (0.50) LCKITKAURKBPLK4PAK4
SCHEMBL14605947 0.79 AURKB (0.54) LCKITKAURKBPLK4PAK4
SCHEMBL14605899 0.79 AURKB (0.54) LCKITKAURKBPLK4PAK4
SCHEMBL14606097 0.79 LCK (0.48) LCKITKAURKBPLK4PAK4
SCHEMBL14605945 0.79 LCK (0.45) LCKITKAURKBPLK4PAK4
SCHEMBL14605946 0.78 ROCK2 (0.41) LCKITKAURKBROCK2ROCK1
SCHEMBL14606042 0.78 LCK (0.47) LCKITKAURKBPLK4PAK4
SCHEMBL14605961 0.78 LCK (0.63) LCKITKAURKBPLK4PAK4

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
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 — — WO disclosed
Send feedback