SCHEMBL27909495

SCHEMBL27909495

[c]1ncnc2cc(-c3ccc(N4CCOCC4)cc3)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.51
KCNH2 Q12809 1/20 0.43
GSK3B P49841 3/20 0.43
JAK2 O60674 5/20 0.43
JAK1 P23458 5/20 0.43
TYK2 P29597 5/20 0.43
JAK3 P52333 5/20 0.43
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKDC P78527 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL27892396 0.83 HRH3 (0.49) STK17BJAK2MEN1USP2KMT2A
SCHEMBL27892407 0.82 SIGMAR1 (0.41) STK17B
SCHEMBL27909516 0.78 LCK (0.51) STK17BKDM4EALDH1A1HPGD
SCHEMBL23699622 0.76 TYK2 (0.50) STK17BTYK2KMT2ANPC1RAB9A
SCHEMBL27892406 0.73 CYP2D6 (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27909526 0.72 HRH3 (0.47) KCNH2L3MBTL1
SCHEMBL27909514 0.71 EGFR (0.44) MEN1KMT2A
SCHEMBL27892403 0.71 HRH3 (0.49) KCNH2L3MBTL1
SCHEMBL27903328 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10MEN1MAPK1
SCHEMBL27892444 0.71 HRH3 (0.52) ALDH1A1RAB9AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102971327-A Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases, and pharmaceutical composition containing same KOREA INST SCI & TECH 2013-03-13 CN claimed
CN-102971327-B There is the anti-inflammatory compound of multiple tyrosine-kinase enzyme inhibition activity and the pharmaceutical compositions containing these compounds KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-04-20 CN disclosed
CN-102971327-A Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases, and pharmaceutical composition containing same KOREA INST SCI & TECH 2013-03-13 CN disclosed