SCHEMBL21131652

SCHEMBL21131652

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cccc(-c5ccc(-c6cncnc6)cc5)c34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
KCNA5 P22460 5/20 0.43
JAK2 O60674 2/20 0.43
LCK P06239 2/20 0.43
LYN P07948 2/20 0.43
CDK2 P24941 2/20 0.43
TYK2 P29597 2/20 0.43
TXK P42681 2/20 0.43
NR2C2 P49116 2/20 0.43
GSK3B P49841 2/20 0.43
IRAK1 P51617 2/20 0.43
BMX P51813 2/20 0.43
JAK3 P52333 2/20 0.43
BTK Q06187 2/20 0.43
ITK Q08881 2/20 0.43
AURKB Q96GD4 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
TBK1 Q9UHD2 2/20 0.43
TEK Q02763 1/20 0.43
TNF P01375 1/20 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
SCHEMBL27455783 0.89 ALDH1A1 (0.45) ATMKCNA5TNFKCNH2TSHR
SCHEMBL17853065 0.87 ALDH1A1 (0.46) ATMKCNA5TNFKCNH2TSHR
SCHEMBL17598639 0.87 CYP11B1 (0.46) KCNA5TNFKCNH2TSHRNPC1
SCHEMBL23633544 0.86 ALDH1A1 (0.48) ATMKCNA5TNFKCNH2TSHR
SCHEMBL16716576 0.86 ALDH1A1 (0.48) ATMTNFTSHRADORA3ALOX15
SCHEMBL17655896 0.86 ALDH1A1 (0.48) ATMTNFTSHRADORA3ALOX15
SCHEMBL17598602 0.85 SMN1; SMN2 (0.48) ATMKCNA5TNFKCNH2TSHR
SCHEMBL21131862 0.84 ATM (0.57) ATMKCNA5JAK2LCKLYN
SCHEMBL16716533 0.84 ALDH1A1 (0.50) ATMTNFTSHRADORA3ALOX15
SCHEMBL17829276 0.84 CYP11B1 (0.49) KCNA5TNFKCNH2TSHRNPC1

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed