SCHEMBL3428353

SCHEMBL3428353

Cc1cnc2c(-c3cccc(Cl)c3)cc(Cc3ccc(N)cc3)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
DHFR P00374 1/20 0.38
PDE4D Q08499 1/20 0.38
FYN P06241 2/20 0.37
KDR P35968 2/20 0.37
TDO2 P48775 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 1/20 0.36
USP7 Q93009 1/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL3381911 0.89 RAB9A (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3433258 0.83 DPP4 (0.38) RAB9AKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3377728 0.80 PDE4D (0.46) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7905671 0.79 PDE4D (0.39) RAB9ANPC1LMNADHFRPDE4D
SCHEMBL3377436 0.78 HDAC6 (0.39) RAB9ANPC1KMT2AMEN1DHFR
SCHEMBL3379754 0.77 PIK3CD (0.41)
SCHEMBL3379679 0.75 DHFR (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3381843 0.75 GPR119 (0.39) RAB9AKMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16114143 0.73 PDE4D (0.47) DHFRPDE4DFYNTDO2ADORA2A
SCHEMBL3378478 0.72 DHFR (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed