SCHEMBL27540971

SCHEMBL27540971

CC(N)Cc1c[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
GCGR P47871 3/20 0.44
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
MAPK9 P45984 2/20 0.43
RAF1 P04049 1/20 0.43
MAPK10 P53779 2/20 0.41
CSNK1D P48730 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
SCHEMBL27540879 0.82 MAPK14 (0.52) MAPK14GCGRMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL5850392 0.81 MAPK14 (0.51) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL27564368 0.79 MAPK14 (0.43) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5849702 0.79 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5850129 0.77 MAPK14 (0.48) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5850311 0.76 MAPK14 (0.47) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5849797 0.75 MAPK14 (0.49) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5850546 0.74 MPO (0.48) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5849830 0.74 MPO (0.48) MAPK14HTR2CGCGRMAPK13MAPK12
SCHEMBL5850062 0.74 MPO (0.48) MAPK14GCGRMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN disclosed