Sugi Predict

Sugi Predict / Compounds / SCHEMBL9943294

SCHEMBL9943294

SCHEMBL9943294

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)cc(CN3CCN(C)[C@@H](CO)C3)c2c1.Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)cc(CN3CCNCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.44
▸ CYP2C9 P11712 4/20 0.44
▸ SGK1 O00141 1/20 0.38
▸ MAPK13 O15264 7/20 0.37

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
SCHEMBL9943295 1.00 MAPK14 (0.44) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2424932 0.96 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2424930 0.96 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2415900 0.93 MAPK14 (0.49) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2417211 0.90 MAPK14 (0.46) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2420744 0.89 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2420746 0.89 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2420776 0.89 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2420779 0.88 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13
SCHEMBL2418909 0.88 MAPK14 (0.50) MAPK14CYP2C9SGK1MAPK13

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 claimed