SCHEMBL3379679

SCHEMBL3379679

Cc1nc2c(-c3cccc(Cl)c3)cc(Cc3ccc(N)nc3)cn2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
PTPN11 Q06124 1/20 0.34
TDO2 P48775 1/20 0.34
KDR P35968 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34

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
SCHEMBL3433258 0.88 DPP4 (0.38) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL3381911 0.86 RAB9A (0.39) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL3378478 0.83 DHFR (0.39) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL7928993 0.82 RAB9A (0.41) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL3380717 0.80 PIK3CD (0.38)
SCHEMBL7916793 0.80 DPP4 (0.39) RAB9ALMNAMAPTSMN1; SMN2DPP4
SCHEMBL7902720 0.80 DPP4 (0.39) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL3379685 0.80 DPP4 (0.39) DHFRRAB9ALMNAMAPTSMN1; SMN2
SCHEMBL3380528 0.79 PDE4D (0.60) LMNAMAPTADORA1KMT2AKDR
SCHEMBL7931506 0.79 PDE4D (0.36) DHFRADORA1PDE4D

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 4 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-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
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed