SCHEMBL7003930

SCHEMBL7003930

Cc1csc(NC(=O)CCc2c[nH]c3ccccc23)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.53
MAPK8 P45983 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
IDO1 P14902 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL7004419 0.76 CYP1A2 (0.58) MAPTALDH1A1GAAPOLBNTRK1
SCHEMBL7672699 0.76 MAPK8 (0.49) MAPTALDH1A1POLBMAPK8KMT2A
SCHEMBL6998783 0.74 ALDH1A1 (0.50) MAPTALDH1A1GAARAB9APOLB
SCHEMBL31447965 0.73 MAPT (0.70) MAPTALDH1A1GAARAB9APOLB
SCHEMBL28374383 0.73 MAPT (0.56) MAPTALDH1A1GAARAB9APOLB
SCHEMBL393877 0.73 MAPT (1.00) MAPTALDH1A1GAAPOLBKMT2A
SCHEMBL6275395 0.73 ALDH1A1 (0.74) MAPTALDH1A1GAARAB9APOLB
SCHEMBL7675320 0.73 MAPK8 (0.66) MAPTPOLBMAPK8
SCHEMBL12371556 0.73 MAPT (0.78) MAPTALDH1A1GAAPOLBKMT2A
SCHEMBL6999034 0.72 MAPK8 (0.68) MAPTALDH1A1GAARAB9APOLB

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-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed