SCHEMBL4319684

SCHEMBL4319684

S=[C]Nc1ncccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL28695779 0.76 RAB9A (0.56) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL360202 0.72
SCHEMBL7466779 0.72
SCHEMBL25172058 0.72 MEN1 (0.38) KDM4ENPC1RAB9AMAPTL3MBTL1
Bromide SCHEMBL28379513 0.71 AXL (0.38) AXLKDM4ENPC1RAB9AMAPT
SCHEMBL7158819 0.69 L3MBTL1 (0.64) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL28139698 0.68 SMN1; SMN2 (0.36) AXLKDM4ENPC1RAB9AMAPT
SCHEMBL2279335 0.68 DHODH (0.56) RAB9AMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13562934 0.68 SMN1; SMN2 (0.42) AXLKDM4ENPC1RAB9AMAPT
SCHEMBL31441719 0.68 SMN1; SMN2 (0.42) AXLKDM4ENPC1RAB9AMAPT

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
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
WO-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed