SCHEMBL28019228

SCHEMBL28019228

c1ccc(Cn2cc(-c3c[nH]cn3)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ CREBBP Q92793 7/20 0.51
▸ FYN P06241 1/20 0.49
▸ ALK Q9UM73 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MKNK1 Q9BUB5 2/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ ADORA2B P29275 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PDK2 Q15119 1/20 0.44

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
Hydrochloric Acid SCHEMBL2694117 0.99 L3MBTL1 (0.59) L3MBTL1CREBBPFYNALKMAPK1
SCHEMBL2691700 0.83 L3MBTL1 (0.40) L3MBTL1CREBBPFYNALKMAPK1
Hydrochloric Acid SCHEMBL2692843 0.81 L3MBTL1 (0.39) L3MBTL1CREBBPFYNALKMAPK1
SCHEMBL27870423 0.77 MAPK1 (0.42) MAPK1KDM5B
SCHEMBL28018702 0.77 MAPK1 (0.34) L3MBTL1MAPK1KDM5BPDK2
SCHEMBL27853688 0.76 KIT (0.44) MAPK1KDM5BPDK2
Hydrochloric Acid SCHEMBL2694026 0.76 MAPK1 (0.34) MAPK1KDM5BPDK2
Hydrochloric Acid SCHEMBL2692352 0.76 MAPK1 (0.41) MAPK1KDM5B
SCHEMBL18803541 0.75 MKNK1 (0.71) L3MBTL1MAPK1MKNK1DYRK1BMKNK2
SCHEMBL15367198 0.74 MAPK1 (0.46) MAPK1KDM5BPDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 — — CN disclosed
CN-102471335-B Azanebicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 — — CN disclosed
CN-104710420-A Azabicyclo compound and salt thereof, medication and composition containing same, and application thereof TAIHO PHARMACEUTICAL CO LTD 2015-06-17 — — CN disclosed
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