SCHEMBL4464379

SCHEMBL4464379

CN1CCN(C(=O)Cc2ccc(-c3cnc(N)nc3N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
JAK1 P23458 1/20 0.46
BRD4 O60885 4/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LRRK2 Q5S007 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL17907568 0.79 LMNA (0.54) LMNA
SCHEMBL2747321 0.75 MAPT (0.68) MAPTHDAC4HDAC6BRD4SMN1; SMN2
SCHEMBL18616316 0.75 MERTK (0.57) MAPTHDAC4HDAC6AXLMERTK
SCHEMBL265154 0.75 DHFR (0.59) MAPTKDM4EALDH1A1KMT2A
SCHEMBL30560046 0.75 DHFR (0.59) MAPTKDM4EALDH1A1KMT2A
SCHEMBL28586035 0.71 BMP4 (0.50) NPC1ALDH1A1HPGDRAB9A
SCHEMBL10195746 0.71 MEN1 (0.69) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL18389961 0.71 MAPT (0.57) MAPTHDAC4HDAC6BRD4SMN1; SMN2
SCHEMBL2376378 0.70 SMN1; SMN2 (0.71) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL4548020 0.70 POLB (0.69) MAPTHDAC4HDAC6SMN1; SMN2MEN1

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed