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Sugi Predict / Compounds / SCHEMBL1704970

SCHEMBL1704970

SCHEMBL1704970

NC(=O)c1ccc(N(C(=O)Oc2ccccc2)C2CCCNC2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.51
▸ SYK P43405 1/20 0.47
▸ EGFR P00533 5/20 0.44
▸ LCK P06239 5/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ CAMK1D Q8IU85 2/20 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
SCHEMBL1705522 1.00 BTK (0.51) BTKSYKEGFRLCKJAK3
SCHEMBL1705032 0.90 BTK (0.56) BTKSYKEGFRLCKJAK3
SCHEMBL1705612 0.89 BTK (0.52) BTKSYKEGFRLCKJAK3
SCHEMBL16798395 0.78 EGFR (0.58) BTKEGFRLCKJAK3
SCHEMBL16798397 0.78 EGFR (0.58) BTKEGFRLCKJAK3
SCHEMBL1704941 0.77 BTK (0.49) BTKSYKEGFRLCKJAK3
SCHEMBL1704943 0.77 BTK (0.49) BTKSYKEGFRLCKJAK3
SCHEMBL1705199 0.77 BTK (0.49) BTKSYKEGFRLCKJAK3
SCHEMBL16786050 0.74 EGFR (0.72) BTKSYKEGFRLCKJAK3
SCHEMBL16798356 0.74 JAK3 (0.46) BTKSYKEGFRLCKJAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 — — EP disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 — — WO disclosed