SCHEMBL18296227

SCHEMBL18296227

CC(=N)/C=C(\S)Nc1cc(N2CCC[C@@H](N)C2)cnc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.39
▸ PIM1 P11309 4/20 0.38
▸ PIM3 Q86V86 4/20 0.38
▸ PIM2 Q9P1W9 4/20 0.38
▸ CAMK1D Q8IU85 12/20 0.38
▸ PIP5K1C O60331 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RIPK4 P57078 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAP2K5 Q13163 1/20 0.38
▸ CAMK1 Q14012 1/20 0.38
▸ MAP3K11 Q16584 1/20 0.38
▸ PNCK Q6P2M8 1/20 0.38
▸ CAMK1G Q96NX5 1/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38

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
SCHEMBL18296266 0.76 CAMK1D (0.43) BTKPIM1PIM3PIM2CAMK1D
SCHEMBL18296078 0.73 BTK (0.67) BTKCAMK1DPIP5K1CCYP2C9CYP2C19
SCHEMBL16764181 0.68 BTK (0.71) BTKCAMK1DJAK3EGFRLCK
SCHEMBL16764183 0.68 BTK (0.71) BTKCAMK1DJAK3EGFRLCK
SCHEMBL18296292 0.64 BTK (0.55) BTKPIM1PIM3PIM2CAMK1D
SCHEMBL23497694 0.64 HRH3 (0.53) PIM1PIM3PIM2CAMK1D
SCHEMBL29744407 0.64 HRH3 (0.53) PIM1PIM3PIM2CAMK1D
SCHEMBL29990018 0.62 PIM1 (0.42) PIM1PIM3PIM2CAMK1D
SCHEMBL4827876 0.62 CHRNB2 (0.56) PIM1PIM3PIM2
SCHEMBL23497910 0.62 PIM1 (0.42) PIM1PIM3PIM2CAMK1D

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-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
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