SCHEMBL9943284

SCHEMBL9943284

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(Cc3ccccc3)ccc2c1C(=O)NCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.44
▸ EGLN1 Q9GZT9 5/20 0.43
▸ MAPK14 Q16539 10/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ BRD1 O95696 1/20 0.41
▸ CCL2 P13500 1/20 0.41
▸ TAF1 P21675 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ BRDT Q58F21 1/20 0.41
▸ ATAD2 Q6PL18 1/20 0.41
▸ PBRM1 Q86U86 1/20 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
SCHEMBL2419533 0.83 MAPK14 (0.48) MAPK13MAPK14CYP2C9TRIM24BRD4
SCHEMBL2418823 0.73 MAPK14 (0.53) MAPK13MAPK14CYP2C9TRIM24BRD4
SCHEMBL2420323 0.71 MAPK14 (0.59) MAPK14CYP2C9
SCHEMBL2421708 0.69 MAPK14 (0.61) MAPK14CYP2C9TRIM24BRD4BRD1
SCHEMBL14269520 0.69 MAPK14 (0.62) MAPK13MAPK14CYP2C9
SCHEMBL20448732 0.68 MAPK14 (0.77) MAPK13MAPK14CYP2C9
SCHEMBL2422941 0.68 MAPK14 (0.56) MAPK13EGLN1MAPK14CYP2C9TRIM24
SCHEMBL2414058 0.67 MAPK14 (0.53) MAPK14TRIM24BRD4BRD1CCL2
SCHEMBL2420062 0.67 MAPK14 (0.47) MAPK13MAPK14CYP2C9
SCHEMBL2398090 0.66 MAPK14 (0.46) MAPK13MAPK14CYP2C9

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-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 — — EP disclosed
Send feedback