SCHEMBL4752843

SCHEMBL4752843

c1ccc(-c2cccc3cn[nH]c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
METAP2 P50579 1/20 0.53
AKT1 P31749 2/20 0.48
AKT2 P31751 1/20 0.48
LMNA P02545 1/20 0.48
FGFR1 P11362 4/20 0.47
CDK5 Q00535 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
MAP4K4 O95819 2/20 0.47
CSF1R P07333 2/20 0.47
PDGFRA P16234 2/20 0.47
LTK P29376 2/20 0.47
KDR P35968 2/20 0.47
CSNK1A1 P48729 2/20 0.47
TNK2 Q07912 2/20 0.47
MAPK8 P45983 1/20 0.47
LIMK1 P53667 1/20 0.47
ACVR1 Q04771 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL3064844 0.86 NOS1 (0.63) NOS1METAP2FGFR1CDK5CLK4
SCHEMBL16835565 0.80 NPC1 (0.45) NOS1METAP2FGFR1ROCK1KDM4E
SCHEMBL18188598 0.77 AKT1 (0.44) NOS1METAP2AKT1AKT2LMNA
SCHEMBL29614980 0.76 MAP4K4 (0.46) NOS1FGFR1CDK5CLK4DYRK1B
SCHEMBL30809709 0.76 PLK4 (0.58) NOS1METAP2FGFR1CDK5CLK4
SCHEMBL23198277 0.76 MAP4K4 (0.46) NOS1FGFR1CDK5CLK4DYRK1B
SCHEMBL31134213 0.75 LMNA (0.51) METAP2AKT1AKT2LMNAFGFR1
SCHEMBL28151785 0.75 METAP2 (0.58) METAP2AKT1AKT2LMNAFGFR1
SCHEMBL23604050 0.75 NOS1 (0.44) NOS1FGFR1CDK5CLK4DYRK1B
SCHEMBL31722116 0.74 NOS1 (0.50) NOS1FGFR1CDK5CLK4DYRK1B

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-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed