SCHEMBL15005240

SCHEMBL15005240

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.40
▸ CDK5 Q00535 5/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ CLK1 P49759 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ RPS6KB1 P23443 2/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ PIP4K2A P48426 3/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ IMPDH2 P12268 2/20 0.35
▸ CLK4 Q9HAZ1 4/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ LIMK1 P53667 3/20 0.34
▸ ROCK1 Q13464 3/20 0.34
▸ CLK2 P49760 3/20 0.34
▸ DYRK1B Q9Y463 3/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CDK9 P50750 2/20 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
SCHEMBL15005797 0.91 CDC7 (0.39) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL15005727 0.90 CDC7 (0.37) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL15005624 0.89 MAP2 (0.42) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3594823 0.84 CDC7 (0.45) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3600494 0.80 CDC7 (0.40) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3598022 0.75 ERN1 (0.45) CDC7CDK5DYRK1ARPS6KB1IMPDH2
SCHEMBL3590152 0.73 CDC7 (0.43) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3597459 0.72 MAP2 (0.48) CDC7CDK5DYRK1ACLK1CDK5R1
SCHEMBL3603414 0.70 CDC7 (0.43) CDC7CDK5DYRK1ARPS6KB1IMPDH2
SCHEMBL15005688 0.69 ROCK2 (0.36) TRPV1CLK4GSK3BROCK1PRKACA

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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