SCHEMBL28023719

SCHEMBL28023719

Fc1ccc(C2N=CC=CN2c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.38
GAA P10253 6/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 6/20 0.35
GLA P06280 5/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 5/20 0.35
TDP1 Q9NUW8 5/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
HSP90AA1 P07900 1/20 0.35
ATM Q13315 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL29944962 0.76 MAPT (0.50) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL27945514 0.76 AKT1 (0.40)
SCHEMBL28023706 0.73 MAPT (0.30) MAPT
SCHEMBL27727248 0.69 MAOA (0.33) GAAMEN1KMT2AMAPTL3MBTL1
SCHEMBL27945472 0.69 MAPT (0.30) MAPT
SCHEMBL28024161 0.69 MAPT (0.30) MAPT
SCHEMBL20658953 0.69 SMN1; SMN2 (0.31) MAPTSMN1; SMN2
SCHEMBL28324627 0.67 GAA (0.38) FADS1GAAPOLBMEN1KMT2A
SCHEMBL28032286 0.66 MEN1 (0.30) MEN1KMT2AKDM4ELMNA
SCHEMBL28031694 0.66 MEN1 (0.30) MEN1KMT2A

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
CN-103370321-B Kui Linpyrimido quinoline [1, the 2-b] indazole replaced and the purposes of the conditioning agent as PI3K/AKT approach thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed