SCHEMBL24521100

SCHEMBL24521100

N#Cc1ccc(-c2cccc3c2-c2cc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c4ccccc4c2C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.39
TGFBR1 P36897 2/20 0.38
GRM5 P41594 6/20 0.35
MYC P01106 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
FABP1 P07148 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
HTR2C P28335 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CHEK1 O14757 1/20 0.33
LAP3 P28838 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
SCHEMBL24521063 0.88 MYC (0.47) SQORMYCHRH4ABCG2LAP3
SCHEMBL24521164 0.81 ADORA2A (0.37) SQORGRM5CCR1CCR5CCR8
SCHEMBL24521007 0.79 ABCG2 (0.40) SQORMYCHRH4ABCG2
SCHEMBL24521004 0.77 CYP1A2 (0.38) SQORHRH4ABCG2LAP3
SCHEMBL24521125 0.77 ABCG2 (0.40) SQORMYCHRH4ABCG2
SCHEMBL24521132 0.77 KCNH2 (0.42) SQORMYC
SCHEMBL22064735 0.76 SQOR (0.46) SQORTGFBR1GRM5MYCMAPK13
SCHEMBL22064783 0.76 SQOR (0.43) SQORTGFBR1GRM5FABP1CCR1
SCHEMBL22064737 0.76 SQOR (0.43) SQORTGFBR1GRM5FABP1CCR1
SCHEMBL24521206 0.75 SMN1; SMN2 (0.35) GRM5METAP1

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
EP-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 EP disclosed