SCHEMBL14605969

SCHEMBL14605969

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1c1nc(Cc2ccccc2)cc(Nc2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.70
▸ ITK Q08881 1/20 0.70
▸ AURKB Q96GD4 1/20 0.70
▸ CDK2 P24941 10/20 0.46
▸ CCNA2 P20248 5/20 0.46
▸ CCNA1 P78396 5/20 0.46
▸ IGF1R P08069 5/20 0.41
▸ CCNE1 P24864 4/20 0.41
▸ CCNE2 O96020 3/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ PLK4 O00444 1/20 0.39
▸ PAK4 O96013 1/20 0.39

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
SCHEMBL14605971 0.91 LCK (0.62) LCKITKAURKBCDK2CCNA2
SCHEMBL14605899 0.87 AURKB (0.54) LCKITKAURKBPLK4PAK4
SCHEMBL14605947 0.87 AURKB (0.54) LCKITKAURKBPLK4PAK4
SCHEMBL14605953 0.84 LCK (0.95) LCKITKAURKBCDK2CCNA2
SCHEMBL14606053 0.80 LCK (0.65) LCKITKAURKBCDK2CCNA2
SCHEMBL14605898 0.80 LCK (0.62) LCKITKAURKBCDK2CCNA2
SCHEMBL14605962 0.79 LCK (0.78) LCKITKAURKBCDK2CCNA2
SCHEMBL14606097 0.78 LCK (0.48) LCKITKAURKBPLK4PAK4
SCHEMBL14606070 0.78 LCK (0.59) LCKITKAURKBCDK2CCNA2
SCHEMBL14605963 0.78 LCK (0.59) LCKITKAURKBCDK2CCNA2

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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