SCHEMBL23015372

SCHEMBL23015372

CN1CCC(n2cc(-c3cc(C(N)CCN)c4ccccc4n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.49
KHK P50053 3/20 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
FLT3 P36888 3/20 0.40
FGFR1 P11362 3/20 0.40
FGFR2 P21802 3/20 0.40
FGFR3 P22607 3/20 0.40
FGFR4 P22455 2/20 0.40
KDR P35968 2/20 0.40
SYK P43405 1/20 0.40
MET P08581 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL29636681 1.00 EGFR (0.49) EGFRKHKJAK2JAK1TYK2
SCHEMBL23015213 0.88 MET (0.48) KHKJAK2FLT3METNTRK1
SCHEMBL29636634 0.88 MET (0.48) KHKJAK2FLT3METNTRK1
SCHEMBL29636726 0.84 GRM2 (0.46) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL23015344 0.84 GRM2 (0.46) FGFR1FGFR2FGFR3FGFR4KDR
SCHEMBL23029689 0.80 ACP1 (0.50) EGFR
SCHEMBL29636664 0.77 ACP1 (0.42) JAK2JAK1TYK2JAK3FLT3
SCHEMBL23015140 0.77 ACP1 (0.42) JAK2JAK1TYK2JAK3FLT3
SCHEMBL23015286 0.76 ACP1 (0.46) EGFRJAK2JAK1TYK2JAK3
SCHEMBL29636661 0.76 ACP1 (0.46) EGFRJAK2JAK1TYK2JAK3

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 5 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
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN claimed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed