SCHEMBL13894015

SCHEMBL13894015

Cc1ccc(C(=O)Nc2cccc(-c3cc(Nc4ccc(C)cn4)c(=O)[nH]n3)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
F10 P00742 2/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PARP1 P09874 1/20 0.41
NTRK1 P04629 1/20 0.40
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL13893893 0.90 BTK (0.48) BTKMEN1KMT2AMAPTTP53
SCHEMBL13894017 0.88 LMNA (0.43) BTKMEN1KMT2AMAPTTP53
SCHEMBL13893894 0.88 BTK (0.45) BTKMEN1KMT2AMAPTTP53
SCHEMBL13893892 0.87 BTK (0.52) BTKHPGD
SCHEMBL13893891 0.86 BTK (0.61) BTKRAB9AKDM4E
SCHEMBL13894043 0.86 BTK (0.49) BTKRAB9AHPGDKDM4E
SCHEMBL13894045 0.82 RAB9A (0.45) BTKMEN1KMT2AMAPTTP53
SCHEMBL13894016 0.80 LMNA (0.42) BTKMEN1KMT2AMAPTTP53
SCHEMBL13893950 0.78 BTK (0.48) BTK
SCHEMBL13894048 0.77 CCNE1 (0.49) BTKMAPTTP53

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-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed