SCHEMBL20159359

SCHEMBL20159359

CCn1nc(I)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.41
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
KDR P35968 1/20 0.39
SOS1 Q07889 4/20 0.37
EGFR P00533 2/20 0.36
APP P05067 1/20 0.36
PPARG P37231 2/20 0.34
AXL P30530 1/20 0.34
P2RX7 Q99572 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL20142969 0.85 BRD9 (0.41) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20143001 0.75 HTR2A (0.38) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20138686 0.73 SOS1 (0.36) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20159238 0.73 LMNA (0.38) SLC6A4
SCHEMBL20138791 0.72 KDR (0.41) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20142941 0.72 HTR2A (0.37) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20138713 0.72 SOS1 (0.41) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20142958 0.71 EGFR (0.38) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20142980 0.71 HTR2A (0.36) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20154256 0.70 SOS1 (0.36) BRD9HTR2ASLC6A4KCNH2KDR

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
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed