SCHEMBL4190537

SCHEMBL4190537

N#CCC1C=CN=C(OCc2ccc(CN3CCOCC3)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
LTA4H P09960 6/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5614066 0.93 MAPK8 (0.42) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4197321 0.93 RAB9A (0.49) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4200032 0.92 LTA4H (0.45) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4198013 0.90 MEN1 (0.41) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4192557 0.90 RAB9A (0.44) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL5613986 0.87 RAB9A (0.38) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4190547 0.86 MAPK9 (0.39) MAPK9MAPK10MEN1KMT2AUSP2
SCHEMBL4197491 0.85 CYP2D6 (0.38) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL4203404 0.84 PTGS1 (0.36) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL7707443 0.83 RAB9A (0.44) MAPK9MAPK10MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP claimed
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP claimed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO claimed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO claimed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1450792-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA Applied Research Systems ARS Holding N.V. (AN) 2004-09-01 EP disclosed
WO-2003047570-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF SCLERODERMA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-06-12 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed