SCHEMBL22066176

SCHEMBL22066176

C=N/C(=C\C=C/C)c1cc(-c2ccccn2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.32
▸ ADORA3 P0DMS8 5/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPP1CA P62136 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22065511 0.89 KDM4E (0.35) ADORA3MAPTCYP2C19KMT2ANPSR1
SCHEMBL23083173 0.83 NPY5R (0.30) NPY5R
SCHEMBL23774326 0.83 NPY5R (0.30) NPY5R
SCHEMBL22101122 0.82 NPY5R (0.31) NPY5R
SCHEMBL23774070 0.82 — —
SCHEMBL20953544 0.81 TSHR (0.32) RAB9AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23083161 0.80 — —
SCHEMBL23774287 0.80 ALDH1A1 (0.31) CYP2C19
SCHEMBL23774256 0.79 — —
SCHEMBL23083163 0.79 ALDH1A1 (0.30) CYP2C19

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
US-20200185616-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME LG DISPLAY CO., LTD (KR) 2020-06-11 — — US disclosed
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