SCHEMBL27807925

SCHEMBL27807925

Nc1c2c(nc3c(-c4cccnc4)cccc13)CN(C1CC1)C2C=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ DHPS P49366 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ PLAUR Q03405 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ MYLK Q15746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL27807930 0.87 MAPK10 (0.36) HSP90AA1
SCHEMBL27786093 0.85 LCK (0.30) —
SCHEMBL27786000 0.83 MAPK10 (0.36) HSP90AA1
SCHEMBL27785942 0.83 GABRG2 (0.42) ADORA2A
SCHEMBL27785952 0.82 PIK3CA (0.40) ADORA2AKDM4EMAPTRAB9A
SCHEMBL27785935 0.81 MAPK1 (0.31) ADORA2A
SCHEMBL27807921 0.81 CHRNB1 (0.37) CYP11B2CYP11B1HSP90AA1
SCHEMBL27785957 0.80 PIK3CA (0.39) ADORA2A
SCHEMBL27786083 0.79 CHRNB2 (0.34) —
SCHEMBL27807960 0.79 ADORA2A (0.35) ADORA2A

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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