SCHEMBL15005727

SCHEMBL15005727

O=C(O)Oc1c(-c2ccc(Br)cc2)[nH]c2c1ccc1cnccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ MAPK12 P53778 3/20 0.34
▸ MAPK13 O15264 2/20 0.34
▸ GCGR P47871 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ LIMK1 P53667 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ IMPDH2 P12268 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 3/20 0.34

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
SCHEMBL15005240 0.90 CDC7 (0.40) CDC7RPS6KB1ROS1TRPV1MAPK12
SCHEMBL3600494 0.83 CDC7 (0.40) CDC7RPS6KB1ROS1TRPV1MAPK12
SCHEMBL15005624 0.81 MAP2 (0.42) CDC7RPS6KB1MAPK12PIM1GSK3B
SCHEMBL15005797 0.80 CDC7 (0.39) CDC7RPS6KB1MAPK12MAPK13MAPK11
SCHEMBL3594823 0.80 CDC7 (0.45) CDC7RPS6KB1ROS1TRPV1MAPK12
SCHEMBL3598022 0.76 ERN1 (0.45) CDC7RPS6KB1MAPK12MAPK13GCGR
SCHEMBL3603414 0.73 CDC7 (0.43) CDC7RPS6KB1MAPK12MAPK13MAPK11
SCHEMBL3608210 0.72 DHODH (0.44) CDC7RPS6KB1MAPK12PIM1GSK3B
SCHEMBL3597459 0.70 MAP2 (0.48) CDC7IMPDH2CLK4CDK8CDK5
SCHEMBL15005688 0.70 ROCK2 (0.36) TRPV1GSK3BROCK1CLK4ROCK2

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
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 — — EP claimed
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