SCHEMBL27807909

SCHEMBL27807909

CCOc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCCC1)C3C=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 7/20 0.35
▸ PDE1A P54750 5/20 0.35
▸ PDE1C Q14123 5/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PDE5A O76074 1/20 0.32
▸ HCRTR1 O43613 9/20 0.32
▸ HCRTR2 O43614 9/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27807931 0.91 PIK3CA (0.43) PIK3CA
SCHEMBL27807942 0.90 PIK3CA (0.42) PIK3CA
SCHEMBL27785957 0.88 PIK3CA (0.39) PIK3CA
SCHEMBL27807913 0.82 BRD9 (0.36) PIK3CA
SCHEMBL27786011 0.80 BRD9 (0.36) PIK3CA
SCHEMBL27785960 0.79 PIK3CA (0.35) PIK3CA
SCHEMBL2660408 0.79 PDE1B (0.38) PDE1BPDE1APDE1CPIK3CAPDE5A
SCHEMBL27785937 0.78 ADORA2A (0.32) —
SCHEMBL27786000 0.78 MAPK10 (0.36) PIK3CA
SCHEMBL2660334 0.78 PIK3CA (0.39) PDE1BPDE1APDE1CPIK3CAPDE5A

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-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN claimed
CN-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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