SCHEMBL16801985

SCHEMBL16801985

NC(=O)c1ncc(N2CCCCC2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.66
JAK3 P52333 3/20 0.49
LCK P06239 2/20 0.49
ATR Q13535 1/20 0.48
CSF1R P07333 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
SYK P43405 2/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL16764181 0.88 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL16764183 0.88 BTK (0.71) BTKJAK3LCKEGFR
SCHEMBL28096707 0.85 BTK (0.79) BTKJAK3LCKEGFR
SCHEMBL28096702 0.85 BTK (0.79) BTKJAK3LCKEGFR
SCHEMBL16801928 0.84 BTK (0.50) BTKJAK3ATRJAK2TYK2
SCHEMBL16763644 0.81 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16764178 0.81 BTK (0.79) BTKJAK3LCKEGFR
SCHEMBL16764176 0.81 BTK (0.79) BTKJAK3LCKEGFR
SCHEMBL16763641 0.81 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL23080983 0.80 LCK (0.54) BTKJAK3LCKCSF1RSYK

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-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 WO disclosed