SCHEMBL30208323

SCHEMBL30208323

Cc1ccncc1Cc1nc(N)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ DCPS Q96C86 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PKM P14618 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ APP P05067 3/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL28189562 0.73 L3MBTL1 (0.58) DCPSKMT2AL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL29109414 0.71 DCPS (0.57) DCPSNPC1RAB9AKMT2ATAAR1
SCHEMBL30208425 0.70 DCPS (0.45) DCPSNPC1RAB9AKMT2AL3MBTL1
SCHEMBL29631138 0.69 DCPS (0.44) DCPSNPC1RAB9AKMT2ATAAR1
SCHEMBL28229720 0.68 KDM4E (0.55) DCPSCYP1A2CYP1A1CYP1B1APP
SCHEMBL16589007 0.68 DCPS (0.57) DCPSNPC1RAB9AKMT2ATAAR1
SCHEMBL29563950 0.67 LATS1 (0.33) —
SCHEMBL31061156 0.66 CLK1 (0.66) CLK1DCPSNPC1RAB9AKMT2A
SCHEMBL12733670 0.66 CLK1 (0.66) CLK1DCPSNPC1RAB9AKMT2A
SCHEMBL1675370 0.66 CLK1 (0.66) CLK1DCPSNPC1RAB9AKMT2A

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
CN-109641886-B Bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2022-11-18 — — CN disclosed
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