SCHEMBL7023968

SCHEMBL7023968

C[C@H](O)Cc1ccc(Nc2ncc(CC=O)cc2N)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.32
RET P07949 1/20 0.32
RAD52 P43351 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CPB2 Q96IY4 1/20 0.31
SYK P43405 2/20 0.30
ADRB2 P07550 4/20 0.30
SUV39H1 O43463 1/20 0.30
PRMT1 Q99873 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
SCHEMBL7015453 0.82 TDP1 (0.45) MEN1KMT2A
SCHEMBL1626152 0.81 RAD52 (0.42) PDE4BRETRAD52MEN1KMT2A
SCHEMBL1629448 0.81 RAD52 (0.42) PDE4BRETRAD52MEN1KMT2A
SCHEMBL6386479 0.80 GAA (0.40) MEN1KMT2A
SCHEMBL7020726 0.80 GAA (0.40) MEN1KMT2A
SCHEMBL6387368 0.80 GAA (0.40) MEN1KMT2A
SCHEMBL27597644 0.79 BRAF (0.36) PDE4BRETRAD52MEN1KMT2A
SCHEMBL6441185 0.72 MAPT (0.48) MEN1KMT2A
SCHEMBL7020352 0.68 MAPT (0.40) MEN1KMT2A
SCHEMBL1625505 0.68 MEN1 (0.49) RAD52MEN1KMT2A

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-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed