SCHEMBL2462645

SCHEMBL2462645

Cc1c(C2=CC(Nc3ccc([C@H](O)C(=O)N(C)C)cn3)C(=O)NN2C)ccc(F)c1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.38
DEGS1 O15121 1/20 0.33
CCKAR P32238 2/20 0.31
CCKBR P32239 2/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL2464013 1.00 BTK (0.38) BTKDEGS1CCKARCCKBRNPC1
SCHEMBL2464418 0.85 PPARG (0.36) BTKDEGS1NPC1MAPTRAB9A
SCHEMBL2462892 0.85 PPARG (0.36) BTKDEGS1NPC1MAPTRAB9A
SCHEMBL9985142 0.77 BTK (0.48) BTKDEGS1
SCHEMBL2491394 0.77 BTK (0.48) BTKDEGS1
SCHEMBL9985729 0.77 BTK (0.48) BTKDEGS1
SCHEMBL2464076 0.76 BTK (0.59) BTKDEGS1MEN1KMT2AF10
SCHEMBL2464078 0.76 BTK (0.59) BTKDEGS1MEN1KMT2AF10
SCHEMBL2466168 0.76 BTK (0.59) BTKDEGS1MEN1KMT2AF10
SCHEMBL2461785 0.73 PPARG (0.38) BTKDEGS1NPC1MAPTRAB9A

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-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed