SCHEMBL29138039

SCHEMBL29138039

O=C(Nc1ccc(F)cc1)c1ccc(-c2ccncn2)c(-c2ccncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
TEK Q02763 3/20 0.52
ROCK2 O75116 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN1 P18031 2/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
NAMPT P43490 1/20 0.47
MPL P40238 1/20 0.47
MITF O75030 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
SNCA P37840 1/20 0.46

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
SCHEMBL29138086 0.87 KDR (0.62) KDRTEKKMT2ANPC1RAB9A
SCHEMBL29138066 0.87 NPC1 (0.51) KDRTEKROCK2MEN1KMT2A
SCHEMBL29138064 0.84 MPL (0.45) KDRTEKROCK2NPC1RAB9A
SCHEMBL29138054 0.81 PDE4D (0.45) KDRTEKROCK2RAB9AMPL
SCHEMBL29138058 0.81 RAB9A (0.58) KDRTEKMEN1KMT2ANPC1
SCHEMBL29138090 0.81 MPL (0.44) KDRTEKMPL
SCHEMBL29138040 0.75 POLB (0.44) KDRTEKKMT2APOLBMAPT
SCHEMBL20302206 0.75 GRM4 (0.63) MEN1KMT2APTPN1NPC1RAB9A
SCHEMBL29138051 0.74 AR (0.41) KDRTEK
SCHEMBL29496075 0.73 GAA (0.81) MEN1KMT2APTPN1NPC1RAB9A

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