SCHEMBL7091161

SCHEMBL7091161

NC(=O)c1ccc(-c2n[nH]c3c2sc2ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.45
MAPK1 P28482 2/20 0.45
MAPKAPK2 P49137 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
LIMK1 P53667 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
BRAF P15056 1/20 0.39
HTT P42858 1/20 0.39
IKBKB O14920 1/20 0.38
KDR P35968 4/20 0.38
MAPK8 P45983 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ROCK1 Q13464 1/20 0.37
MKNK1 Q9BUB5 1/20 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
SCHEMBL7096389 0.82 MAPT (0.41) LIMK1ALDH1A1POLBKDRMAPK8
SCHEMBL7094698 0.82 PDPK1 (0.43) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL7000848 0.82 ALDH1A1 (0.49) MAP2K4LIMK1ALDH1A1KDRMAPK8
SCHEMBL7095837 0.80 MEN1 (0.51) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL7090318 0.80 CSF1R (0.41) MAP2K4MAPK1ALDH1A1POLBKDM4E
SCHEMBL6994774 0.79 MEN1 (0.38) MAP2K4MAPK1ALDH1A1KDM4EROCK1
SCHEMBL7698784 0.76 ALDH1A1 (0.46) MAPK1ALDH1A1HTTKDM4E
SCHEMBL20035103 0.75 HTR2B (0.42) MAPKAPK2ALDH1A1POLBIKBKBKDR
SCHEMBL7094333 0.70 ROCK2 (0.39) NCOA1NCOA3ALDH1A1POLBHTT
SCHEMBL7097681 0.70 FGFR2 (0.32) KDRROCK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
EP-1289525-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2003-03-12 EP disclosed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed