SCHEMBL4692987

SCHEMBL4692987

Clc1cc(Cl)cc(-n2ccc3ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.70
PRKD3 O94806 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
PRKCA P17252 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
PRKCH P24723 1/20 0.49
PRKCI P41743 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCZ Q05513 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKD1 Q15139 1/20 0.49
ROCK2 O75116 1/20 0.48
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL10153905 0.86 BIRC5 (0.64) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL5663553 0.85 BIRC5 (0.66) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL29896808 0.85 BIRC5 (0.66) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL26514130 0.84 BIRC5 (0.55) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL29896937 0.82 BIRC5 (1.00) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL5661839 0.82 BIRC5 (1.00) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL6190078 0.81 BIRC5 (0.60) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL11910172 0.78 BIRC5 (0.60) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL170890 0.77 BIRC5 (0.70) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL29475118 0.77 BIRC5 (0.70) BIRC5PRKD3PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP disclosed
EP-1399155-A4 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2004-12-15 EP disclosed
EP-1399155-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-24 EP disclosed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US disclosed
WO-2001006984-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed