SCHEMBL19971539

SCHEMBL19971539

C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)NC(C2CC2)C(F)(F)F)cn3-c2c(F)cc(F)cc2F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 8/20 0.37
LMNA P02545 4/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 1/20 0.36
RARB P10826 1/20 0.36
TBXAS1 P24557 1/20 0.36
SLC6A3 Q01959 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL19971538 1.00 KMT2A (0.40) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL21292608 0.91 KMT2A (0.44) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL21292610 0.91 KMT2A (0.44) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL19987091 0.90 KMT2A (0.39) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL29457317 0.90 KMT2A (0.39) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL19986991 0.90 KMT2A (0.39) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL28904854 0.87 KMT2A (0.40) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL19971454 0.86 KMT2A (0.43) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL21292659 0.84 KMT2A (0.43) KMT2AKDM4ELMNAHPGDALDH1A1
SCHEMBL19971507 0.84 KMT2A (0.43) KMT2AKDM4ELMNAHPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
EP-3296298-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2018-03-21 EP disclosed