SCHEMBL14605963

SCHEMBL14605963

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.59
▸ ITK Q08881 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ CCNA2 P20248 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CCNA1 P78396 3/20 0.46
▸ PAK4 O96013 4/20 0.43
▸ PAK1 Q13153 4/20 0.43
▸ IGF1R P08069 2/20 0.43
▸ RET P07949 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL14606070 1.00 LCK (0.59) LCKITKAURKBCCNA2CDK2
SCHEMBL14606047 0.86 LCK (0.63) LCKITKAURKBCCNA2CDK2
SCHEMBL14606096 0.86 LCK (0.55) LCKITKAURKBCCNA2CDK2
SCHEMBL14606103 0.86 LCK (0.55) LCKITKAURKBCCNA2CDK2
SCHEMBL14605964 0.86 LCK (0.55) LCKITKAURKBCCNA2CDK2
SCHEMBL14605956 0.85 LCK (0.59) LCKITKAURKBCCNA2CDK2
SCHEMBL14605898 0.84 LCK (0.62) LCKITKAURKBCCNA2CDK2
SCHEMBL14606053 0.83 LCK (0.65) LCKITKAURKBCCNA2CDK2
SCHEMBL14605897 0.83 LCK (0.56) LCKITKAURKBCCNA2CDK2
SCHEMBL14605948 0.81 LCK (0.68) LCKITKAURKBCCNA2CDK2

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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