SCHEMBL23007807

SCHEMBL23007807

Cc1cccc(-c2nc(-n3ncc4cnccc43)c3nc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.43
TGFBR2 P37173 9/20 0.43
IRAK4 Q9NWZ3 2/20 0.37
CYP2A6 P11509 1/20 0.34
MAPK14 Q16539 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL29366477 1.00 TGFBR1 (0.43) TGFBR1TGFBR2IRAK4CYP2A6MAPK14
SCHEMBL23007796 0.84 TGFBR1 (0.36) TGFBR1TGFBR2IRAK4MAPK14
SCHEMBL29363330 0.84 TGFBR1 (0.36) TGFBR1TGFBR2IRAK4MAPK14
SCHEMBL29366036 0.83 TGFBR1 (0.59) TGFBR1TGFBR2
SCHEMBL23007883 0.83 TGFBR1 (0.59) TGFBR1TGFBR2
SCHEMBL23007812 0.83 IRAK4 (0.36) TGFBR1TGFBR2IRAK4
SCHEMBL29366055 0.83 IRAK4 (0.36) TGFBR1TGFBR2IRAK4
SCHEMBL23007811 0.82 TGFBR1 (0.35) TGFBR1TGFBR2CYP2A6PDE10A
SCHEMBL29366337 0.82 TGFBR1 (0.35) TGFBR1TGFBR2CYP2A6PDE10A
SCHEMBL23007868 0.79 TGFBR1 (0.48) TGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027594-A1 IMIDAZOLOPYRIMIDINE COMPOUNDS COMPRISING FUSED RING GROUP, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-02-18 WO disclosed