SCHEMBL1705199

SCHEMBL1705199

NC(=O)c1cnc(N(C(=O)O)C2CCCNC2)cc1Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.49
SYK P43405 3/20 0.48
CSF1R P07333 2/20 0.46
EGFR P00533 4/20 0.43
LCK P06239 4/20 0.43
JAK3 P52333 4/20 0.43
CHEK1 O14757 1/20 0.42
ACP1 P24666 1/20 0.41
CAMK1D Q8IU85 2/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL1704941 0.89 BTK (0.49) BTKSYKCSF1REGFRLCK
SCHEMBL1704943 0.89 BTK (0.49) BTKSYKCSF1REGFRLCK
SCHEMBL1705032 0.86 BTK (0.56) BTKSYKEGFRLCKJAK3
SCHEMBL1705058 0.82 BTK (0.46) BTKSYKEGFRLCKJAK3
SCHEMBL16798536 0.77 BTK (0.56) BTKSYKEGFRLCKJAK3
SCHEMBL16798535 0.77 BTK (0.56) BTKSYKEGFRLCKJAK3
SCHEMBL1705522 0.77 BTK (0.51) BTKSYKEGFRLCKJAK3
SCHEMBL1704970 0.77 BTK (0.51) BTKSYKEGFRLCKJAK3
SCHEMBL1705612 0.76 BTK (0.52) BTKSYKEGFRLCKJAK3
SCHEMBL16786050 0.74 EGFR (0.72) 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