SCHEMBL20547736

SCHEMBL20547736

Nc1cc(-c2ncccc2F)nc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
GABRA1 P14867 3/20 0.43
LATS1 O95835 8/20 0.43
LATS2 Q9NRM7 6/20 0.41
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
ACHE P22303 1/20 0.38
F10 P00742 1/20 0.38
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL31375158 0.80 LATS1 (0.60) LATS1LATS2F7F3ACHE
SCHEMBL4251618 0.77 ACHE (0.45) LATS1LATS2ACHENR4A2KDM4E
SCHEMBL4848530 0.76 GABRA1 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL20547835 0.76 MAP4K4 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL4246335 0.74 ACHE (0.70) LATS1LATS2ACHEKDM4EPOLB
SCHEMBL29650635 0.73 LATS1 (0.56) LATS1LATS2ACHE
SCHEMBL31375899 0.73 LATS1 (0.59) LATS1LATS2ACHEKDM4EPOLB
SCHEMBL30444888 0.70 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL32667309 0.70 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
Ammonia Solution, Strong SCHEMBL16037372 0.69 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA1

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
EP-3615537-A2 6-6 FUSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS Novartis AG (CH) 2020-03-04 EP disclosed
WO-2018198077-A2 6-6 FUSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS NOVARTIS AG (CH) 2018-11-01 WO disclosed