SCHEMBL15520274

SCHEMBL15520274

CCN(CC)CCOc1ccc2cc(-c3cc(N)c[nH]c3=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.46
KDR P35968 1/20 0.43
PARP1 P09874 1/20 0.41
LYN P07948 2/20 0.41
SRC P12931 2/20 0.41
BTK Q06187 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
NUAK1 O60285 1/20 0.39
ALK Q9UM73 1/20 0.38

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
SCHEMBL15520120 0.92 KDR (0.50) MAPTCHRNA7KMT2AKDRPARP1
SCHEMBL15519987 0.87 KDR (0.47) MAPTCHRNA7KMT2AKDRPARP1
SCHEMBL15520330 0.81 KDR (0.54) KDRPARP1ADORA2AADORA1NUAK1
SCHEMBL15520318 0.78 KDR (0.51) KDRPARP1NUAK1
SCHEMBL15520271 0.77 MAPT (0.42) MAPTCHRNA7KMT2AKDRPARP1
SCHEMBL15520317 0.76 KDR (0.39) MAPTKDRNUAK1
SCHEMBL1750035 0.75 MAPT (0.42) MAPTCHRNA7KMT2AKDRPARP1
SCHEMBL15520751 0.75 KDR (0.38) MAPTKDRPARP1NUAK1
SCHEMBL5079376 0.74 KDR (0.74) MAPTCHRNA7KMT2AKDRPARP1
SCHEMBL15520686 0.74 FFAR1 (0.37) KDRPARP1

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
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP disclosed