SCHEMBL6180611

SCHEMBL6180611

COc1ccccc1CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CSNK1D P48730 1/20 0.40
TACR1 P25103 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4335434 0.91 MAPK14 (0.50) MAPK14SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL4339530 0.87 MAPK14 (0.53) MAPK14SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL6179321 0.86 MAPK14 (0.50) MAPK14SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL6180613 0.81 MAPK14 (0.45) MAPK14MEN1KMT2AGAAKDM4E
SCHEMBL6178495 0.79 MAPK14 (0.49) MAPK14SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL4338910 0.79 MAPK14 (0.52) MAPK14TACR1
SCHEMBL6176484 0.78 MAPK14 (0.53) MAPK14TACR1
SCHEMBL4338046 0.78 MAPK14 (0.65) MAPK14CYP1A2CYP2C9CYP2C19
SCHEMBL4335571 0.77 NR3C2 (0.46) MAPK14MEN1KMT2AMAPTTP53
SCHEMBL6178426 0.77 MAPK14 (0.56) MAPK14CSNK1DMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed