SCHEMBL29637611

SCHEMBL29637611

c1cnc(-c2ccccc2-c2cc(-c3ccccc3-c3ncccn3)cc(-c3ccccc3-c3ncccn3)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
BRD4 O60885 1/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
CLK4 Q9HAZ1 3/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 2/20 0.36
BLM P54132 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL29637610 1.00 CYP2A6 (0.38) CYP2A6BRD4ABL1ABCB1BCR
SCHEMBL13539342 0.88 FEN1 (0.38) CYP2A6KDM4EBLMLMNACYP1A2
SCHEMBL28145607 0.88 NOTUM (0.46) KDM4ELMNACYP1A2TP53KMT2A
SCHEMBL10599951 0.87 KDM4E (0.45) BRD4ABL1KDM4EBLMLMNA
SCHEMBL9180442 0.85 ABCG2 (0.46) CYP2A6POLB
SCHEMBL12853990 0.84 PTPRC (0.44) BRD4ABL1KDM4EBLMLMNA
SCHEMBL14725240 0.81 APP (0.38) BRD4CLK4CYP1A2ADRB2MAP4K4
SCHEMBL25460393 0.80 ADORA2A (0.44) CYP2A6CLK4KDM4ELMNAPOLB
SCHEMBL27934175 0.78 HSD17B10 (0.44) KDM4ETDP1TP53ADRB2MAP4K4
SCHEMBL24871225 0.78 GRM5 (0.49) TP53MAP4K4MEN1KMT2A

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-114583067-A Quantum dot light-emitting diode, display device and light-emitting light source TCL科技集团股份有限公司 2022-06-03 CN disclosed
CN-114520292-A Quantum dot light-emitting diode, display device and light-emitting light source TCL科技集团股份有限公司 2022-05-20 CN disclosed