SCHEMBL18296292

SCHEMBL18296292

NC(=O)c1ncc(N2CCC[C@@H](N)C2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ LCK P06239 3/20 0.54
▸ EGFR P00533 2/20 0.54
▸ PRKCQ Q04759 1/20 0.48
▸ MAP4K4 O95819 2/20 0.47
▸ PIM1 P11309 3/20 0.44
▸ PIM3 Q86V86 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ CAMK1D Q8IU85 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ PRKD1 Q15139 1/20 0.43
▸ PRKD2 Q9BZL6 1/20 0.43
▸ IKBKB O14920 1/20 0.43

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
SCHEMBL18296315 0.82 PLAU (0.43) BTKMAP4K4PTPN11IKBKB
SCHEMBL25603500 0.79 JAK3 (0.69) BTKJAK3LCKEGFR
SCHEMBL21947699 0.79 JAK3 (0.61) BTKJAK3LCKEGFR
SCHEMBL18296266 0.77 CAMK1D (0.43) BTKJAK3LCKEGFRPIM1
SCHEMBL18296430 0.76 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346873 0.76 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL22346882 0.76 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL29871745 0.76 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL18296094 0.76 JAK3 (0.67) BTKJAK3LCKEGFR
SCHEMBL22359274 0.75 BTK (0.53) BTKJAK3LCKEGFR

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
Send feedback