SCHEMBL14605897

SCHEMBL14605897

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3nc(Cc4ccccc4)cc(Nc4cc(C5CC5)[nH]n4)n3)C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.56
▸ ITK Q08881 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ IGF1R P08069 5/20 0.47
▸ CDK2 P24941 3/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ PAK4 O96013 2/20 0.41
▸ PAK1 Q13153 2/20 0.41
▸ RET P07949 2/20 0.40
▸ EGFR P00533 1/20 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
SCHEMBL14605970 0.93 LCK (0.57) LCKITKAURKBIGF1RCDK2
SCHEMBL14606070 0.83 LCK (0.59) LCKITKAURKBIGF1RCDK2
SCHEMBL14605963 0.83 LCK (0.59) LCKITKAURKBIGF1RCDK2
SCHEMBL14605898 0.82 LCK (0.62) LCKITKAURKBIGF1RCDK2
SCHEMBL14606053 0.81 LCK (0.65) LCKITKAURKBIGF1RCDK2
SCHEMBL14605910 0.81 AURKB (0.39) LCKITKAURKBIGF1RPAK4
SCHEMBL14606047 0.80 LCK (0.63) LCKITKAURKBIGF1RCDK2
SCHEMBL14606103 0.80 LCK (0.55) LCKITKAURKBIGF1RCDK2
SCHEMBL14605964 0.80 LCK (0.55) LCKITKAURKBIGF1RCDK2
SCHEMBL14606096 0.80 LCK (0.55) LCKITKAURKBIGF1RCDK2

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
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