SCHEMBL18296266

SCHEMBL18296266

NC(=O)c1ncc(N2CCC[C@@H](N)C2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 14/20 0.43
▸ BTK Q06187 3/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ PIM3 Q86V86 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ PIP5K1C O60331 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RIPK4 P57078 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MAP2K5 Q13163 1/20 0.41
▸ CAMK1 Q14012 1/20 0.41
▸ MAP3K11 Q16584 1/20 0.41
▸ PNCK Q6P2M8 1/20 0.41
▸ CAMK1G Q96NX5 1/20 0.41
▸ CHEK1 O14757 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
SCHEMBL18296292 0.77 BTK (0.55) CAMK1DBTKJAK3PIM1PIM3
SCHEMBL18296078 0.76 BTK (0.67) CAMK1DBTKJAK3EGFRLCK
SCHEMBL18296227 0.76 BTK (0.39) CAMK1DBTKJAK3PIM1PIM3
SCHEMBL16764183 0.74 BTK (0.71) CAMK1DBTKJAK3EGFRLCK
SCHEMBL16764181 0.74 BTK (0.71) CAMK1DBTKJAK3EGFRLCK
SCHEMBL2712015 0.74 LRRK2 (0.48) JAK3
SCHEMBL18779659 0.72 MAP4K4 (0.46) PIM1PIM3PIM2
SCHEMBL4827535 0.71 CHRNB2 (0.54) PIM1PIM3PIM2CHEK1
SCHEMBL30022986 0.71 CAMK1D (0.53) CAMK1DPIM1PIP5K1CCYP2C9CYP2C19
SCHEMBL4829280 0.71 CHRNB2 (0.54) PIM1PIM3PIM2CHEK1

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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