SCHEMBL4012439

SCHEMBL4012439

OCc1cccc(-c2ccnc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.49
▸ ACVR1 Q04771 4/20 0.47
▸ AURKA O14965 1/20 0.47
▸ TTK P33981 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ INCENP Q9NQS7 1/20 0.47
▸ PIK3CA P42336 1/20 0.46
▸ FYN P06241 2/20 0.45
▸ TGFBR1 P36897 2/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ CAMKK1 Q8N5S9 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ GRM4 Q14833 2/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ NUDT1 P36639 1/20 0.42

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
SCHEMBL30439957 0.80 TGFBR1 (0.60) ACVR1AURKATTKAURKBINCENP
SCHEMBL35327 0.80 TGFBR1 (0.60) ACVR1AURKATTKAURKBINCENP
SCHEMBL4017563 0.80 PIK3CD (0.54) ACVR1AURKATTKAURKBINCENP
SCHEMBL30583075 0.79 PIK3CA (0.59) ACVR1AURKATTKAURKBINCENP
SCHEMBL19991864 0.79 PIK3CA (0.59) ACVR1AURKATTKAURKBINCENP
SCHEMBL22190051 0.78 GRIA2 (0.54) CAMKK1CAMKK2NPC1ESR1TP53
SCHEMBL22189993 0.78 GRIA2 (0.54) CAMKK1CAMKK2NPC1ESR1TP53
SCHEMBL22189991 0.78 GRIA2 (0.54) CAMKK1CAMKK2NPC1ESR1TP53
SCHEMBL12074333 0.77 PIK3CA (0.65) ACVR1AURKATTKAURKBINCENP
SCHEMBL21982345 0.76 ACVR1 (0.52) ACVR1AURKATTKAURKBINCENP

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-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 — — CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed
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