SCHEMBL29138058

SCHEMBL29138058

O=C(Nc1ccccc1F)c1ccc(-c2ccncn2)c(-c2ccncn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 7/20 0.50
P4HTM Q9NXG6 1/20 0.48
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
PKM P14618 3/20 0.47
HTT P42858 2/20 0.47
NAMPT P43490 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CASP3 P42574 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL29138064 0.87 MPL (0.45) RAB9ANPC1KDRTEKMAPT
SCHEMBL29138054 0.87 PDE4D (0.45) RAB9AKDRTEK
SCHEMBL29138086 0.83 KDR (0.62) RAB9AKMT2ANPC1KDRTEK
SCHEMBL29138090 0.81 MPL (0.44) KDRTEK
SCHEMBL29138039 0.81 KDR (0.52) RAB9AMEN1KMT2ANPC1P4HTM
SCHEMBL29138066 0.80 NPC1 (0.51) RAB9AMEN1KMT2ANPC1KDR
SCHEMBL1264871 0.79 RAB9A (0.55) RAB9ANPC1KDRTEKNAMPT
SCHEMBL20302273 0.76 RAB9A (0.65) RAB9AMEN1KMT2ANPC1P4HTM
SCHEMBL29138072 0.74 GRM1 (0.45)
SCHEMBL29138040 0.73 POLB (0.44) KMT2AP4HTMKDRTEKMAPT

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-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 CN disclosed