SCHEMBL28047780

SCHEMBL28047780

Nc1cccc(Cc2cccc(F)c2)c1N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
MPO P05164 2/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAOB P27338 3/20 0.42
ADCY10 Q96PN6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DAO P14920 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL102570 0.79 HTR2A (0.50) MAOB
SCHEMBL20916278 0.78 CYP3A4 (0.39) RAB9A
SCHEMBL29454253 0.76 TAAR1 (0.45) TAAR1MPOIDO1AGXTMAOB
SCHEMBL22232600 0.76 TAAR1 (0.45) TAAR1MPOIDO1AGXTMAOB
SCHEMBL3300303 0.76 TAAR1 (0.60) TAAR1IDO1AGXTMAOBDAO
SCHEMBL3132841 0.76 CD44 (0.46) L3MBTL1
SCHEMBL6694964 0.76 MPO (0.42) TAAR1MPOIDO1AGXTMAOB
SCHEMBL2091696 0.76 TAAR1 (0.52) TAAR1MPOIDO1AGXTL3MBTL1
SCHEMBL7205931 0.76 TAAR1 (0.52) TAAR1MPOIDO1AGXTMAOB
SCHEMBL4221500 0.75 TAAR1 (0.56) TAAR1MPOIDO1AGXTMAOB

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-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed