SCHEMBL23015286

SCHEMBL23015286

NCCC(N)c1cc(-c2cnn(CCN3CCOCC3)c2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.46
SYK P43405 1/20 0.45
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
MAPK1 P28482 3/20 0.41
MOK Q9UQ07 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
EGFR P00533 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29636661 1.00 ACP1 (0.46) ACP1SYKJAK2JAK1TYK2
SCHEMBL23015140 0.92 ACP1 (0.42) ACP1SYKJAK2JAK1TYK2
SCHEMBL29636664 0.92 ACP1 (0.42) ACP1SYKJAK2JAK1TYK2
SCHEMBL23015344 0.82 GRM2 (0.46) MAPK1ALDH1A1KDM4ELMNAMAPT
SCHEMBL29636726 0.82 GRM2 (0.46) MAPK1ALDH1A1KDM4ELMNAMAPT
SCHEMBL23015374 0.80 ACP1 (0.68) ACP1MAPK1KDM4ELMNATSHR
SCHEMBL29636628 0.80 ACP1 (0.68) ACP1MAPK1KDM4ELMNATSHR
SCHEMBL30964852 0.76 KDM4E (0.47) ACP1SYKMAPK1MOKALDH1A1
SCHEMBL23015372 0.76 EGFR (0.49) SYKJAK2JAK1TYK2JAK3
SCHEMBL29636681 0.76 EGFR (0.49) SYKJAK2JAK1TYK2JAK3

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 4 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
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