SCHEMBL17673264

SCHEMBL17673264

Cn1cc(-c2nccc3ccccc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.47
BRD4 O60885 1/20 0.47
TTK P33981 3/20 0.46
PIM1 P11309 4/20 0.45
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL29848857 1.00 AXL (0.47) AXLBRD4TTKPIM1CCNA2
SCHEMBL15507774 0.78 TTK (0.55) AXLTTKPIM1CCNA2CDK2
SCHEMBL30695549 0.76 AXL (0.47) AXLBRD4PIM1MAPTEPHX2
SCHEMBL12112873 0.75 MAPT (0.58) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL31428664 0.75 GRM4 (0.65) AXLBRD4PIM1HRH4AURKB
SCHEMBL17942667 0.75 BRD4 (0.47) AXLBRD4PIM1PIM3PIM2
SCHEMBL50715 0.74 KDM4E (0.66) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL29398625 0.74 KDM4E (0.66) KDM4ENPC1GLAMAPTRAB9A
SCHEMBL29923403 0.73 PLAU (0.60) HRH4KDM4ENPC1GLAMAPT
SCHEMBL199273 0.73 PLAU (0.60) HRH4KDM4ENPC1GLAMAPT

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-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed