SCHEMBL19971454

SCHEMBL19971454

CC(C)(C)C1CN(c2nc3c(cc2F)c(=O)c(C(=O)N[C@@H](C2CC2)C(F)(F)F)cn3-c2c(F)cc(F)cc2F)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 6/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C9 P11712 2/20 0.35
ATP6V1B2 P21281 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
SCHEMBL21292608 0.92 KMT2A (0.44) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL21292610 0.92 KMT2A (0.44) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL21292647 0.88 KMT2A (0.43) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL21292644 0.88 KMT2A (0.43) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL19971539 0.86 KMT2A (0.40) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL19971538 0.86 KMT2A (0.40) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL19986883 0.85 KMT2A (0.47) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL19971432 0.85 KMT2A (0.47) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL21292630 0.85 KMT2A (0.47) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL29980728 0.85 KMT2A (0.44) KMT2AKDM4ELMNAALDH1A1HSD17B10

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