SCHEMBL29138066

SCHEMBL29138066

O=C(Nc1cccc(F)c1)c1ccc(-c2ccncn2)c(-c2ccncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDR P35968 3/20 0.50
TEK Q02763 3/20 0.50
LCK P06239 1/20 0.50
BRAF P15056 1/20 0.50
MAPK14 Q16539 1/20 0.50
NAMPT P43490 1/20 0.50
KCNK3 O14649 2/20 0.49
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
KCNK9 Q9NPC2 1/20 0.46
ROCK2 O75116 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
SCHEMBL29138039 0.87 KDR (0.52) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL29138086 0.87 KDR (0.62) NPC1RAB9AKMT2AKDRTEK
SCHEMBL29138054 0.83 PDE4D (0.45) RAB9AKDRTEKLCKBRAF
SCHEMBL29138064 0.81 MPL (0.45) NPC1RAB9AKDRTEKLCK
SCHEMBL29818184 0.80 NPC1 (0.55) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL29138058 0.80 RAB9A (0.58) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL20302217 0.79 CD38 (0.61) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL29138090 0.78 MPL (0.44) KDRTEKLCKBRAFMAPK14
SCHEMBL29489337 0.77 NPC1 (0.73) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL29138040 0.72 POLB (0.44) KMT2AKDRTEK

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