SCHEMBL29636664

SCHEMBL29636664

NCCC(N)c1cc(-c2cnn(CCN3CCCC3)c2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 11/20 0.42
SMARCA2 P51531 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MET P08581 1/20 0.39
SYK P43405 1/20 0.39
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL23015140 1.00 ACP1 (0.42) ACP1SMARCA2KDM4EALDH1A1LMNA
SCHEMBL23015286 0.92 ACP1 (0.46) ACP1KDM4EALDH1A1LMNAMAPT
SCHEMBL29636661 0.92 ACP1 (0.46) ACP1KDM4EALDH1A1LMNAMAPT
SCHEMBL29636726 0.83 GRM2 (0.46) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL23015344 0.83 GRM2 (0.46) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL23029701 0.79 ACP1 (0.60) ACP1SMARCA2
SCHEMBL29636681 0.77 EGFR (0.49) JAK2JAK1TYK2JAK3MET
SCHEMBL23015372 0.77 EGFR (0.49) JAK2JAK1TYK2JAK3MET
SCHEMBL30646645 0.74 FGFR3 (0.52) JAK2JAK1TYK2JAK3MET
SCHEMBL23015213 0.74 MET (0.48) JAK2METFLT3

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-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed