SCHEMBL30373152

SCHEMBL30373152

O=c1nc2cccnc2c2cccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ PARP1 P09874 3/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ HSP90AA1 P07900 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ IDO1 P14902 3/20 0.38
▸ CCR1 P32246 3/20 0.38
▸ CCR8 P51685 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL11222044 0.75 HSP90AA1 (0.45) LMNAPARP1KDM4EL3MBTL1HSP90AA1
SCHEMBL2693525 0.70 HCAR2 (0.42) LMNAHCAR2KDM4EIDO1MAPT
SCHEMBL8967704 0.70 CYP3A4 (0.46) LMNAPARP1HCAR2KDM4EL3MBTL1
SCHEMBL19233003 0.68 DHFR (0.53) LMNAPARP1KDM4EL3MBTL1HSP90AA1
SCHEMBL19048958 0.68 DHFR (0.49) LMNAKDM4EHSP90AA1IDO1MAPT
SCHEMBL3259039 0.67 ALDH1A1 (0.44) LMNAPARP1KDM4EL3MBTL1HSP90AA1
SCHEMBL19020615 0.67 ALDH1A1 (0.44) LMNAPARP1KDM4EL3MBTL1HSP90AA1
SCHEMBL2760538 0.67 GPR3 (0.59) LMNAKDM4EL3MBTL1HSP90AA1NPC1
SCHEMBL30185055 0.66 L3MBTL1 (0.54) LMNAKDM4EL3MBTL1HSP90AA1NPC1
SCHEMBL166826 0.66 L3MBTL1 (0.54) LMNAKDM4EL3MBTL1HSP90AA1NPC1

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
WO-2023055827-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2023-04-06 — — WO disclosed
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