SCHEMBL27678813

SCHEMBL27678813

CC(C(=O)C(C)c1c[nH]c2ncccc12)c1c[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.54
MTNR1A P48039 1/20 0.48
KMT2A Q03164 1/20 0.47
AXL P30530 1/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
CAMKK2 Q96RR4 2/20 0.47
MET P08581 4/20 0.46
GPR84 Q9NQS5 1/20 0.46
LRRK2 Q5S007 2/20 0.44
ADORA2A P29274 1/20 0.42
CDC7 O00311 2/20 0.41
CNR2 P34972 1/20 0.41
DAPK3 O43293 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
CDK2 P24941 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL4190015 0.89 MAP2K1 (0.52) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL27750328 0.88 MAP2K1 (0.51) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL30713630 0.88 MAP2K1 (0.51) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL4201283 0.87 MAP2K1 (0.57) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL12491066 0.82 AXL (0.51) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL30068926 0.82 AXL (0.55) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL820352 0.82 AXL (0.55) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL14828716 0.80 MAP2K1 (0.52) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL15142332 0.80 GRM8 (0.49) MAP2K1MTNR1AKMT2AAXLGRM8
SCHEMBL22430456 0.79 AXL (0.51) MAP2K1MTNR1AKMT2AAXLGRM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402996-B Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2015-02-11 CN disclosed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN disclosed
CN-101014597-A Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMA (US) 2007-08-08 CN disclosed