SCHEMBL28468942

SCHEMBL28468942

O=C(c1ccc2nn[nH]c2c1)N1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
KDM4E B2RXH2 2/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
GHSR Q92847 1/20 0.38
GPR183 P32249 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23029471 0.77 HPGD (0.55) HPGDGRIA3GRIA4SMN1; SMN2POLB
SCHEMBL28474014 0.75 ACACB (0.50) HPGDGHSR
SCHEMBL264413 0.74 TDP1 (0.51) HPGDKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL29510973 0.74 TDP1 (0.51) HPGDKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL263919 0.72 SLC2A1 (0.44) KDM4ESMN1; SMN2POLBALDH1A1MAPT
SCHEMBL446292 0.72 CHEK2 (0.48)
SCHEMBL29751019 0.72 CHEK2 (0.48)
SCHEMBL16619560 0.72 MGLL (0.65) HPGDMEN1KMT2A
SCHEMBL31549304 0.71 KDM4E (0.42) HPGDKDM4EGRIA3GRIA4SMN1; SMN2
SCHEMBL27676330 0.70 HDAC6 (0.58)

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
CN-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 CN disclosed