SCHEMBL6087797

SCHEMBL6087797

Cc1ccc(/C=C2/C(=O)NN=C2C2CC2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
KDR P35968 4/20 0.34
MAP4K1 Q92918 1/20 0.33
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
S1PR4 O95977 1/20 0.30
PKM P14618 1/20 0.30
S1PR1 P21453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6087800 1.00 PDPK1 (0.40) PDPK1KDRMAP4K1GAAKMT2A
SCHEMBL6091115 0.83
SCHEMBL6092439 0.83 PDPK1 (0.44) PDPK1KMT2ANPC1MAPT
SCHEMBL6092131 0.80 KDR (0.34) KDR
SCHEMBL6092129 0.80 KDR (0.34) KDR
SCHEMBL6090170 0.79 KDR (0.39) KDRGAAKMT2ANPC1MAPT
SCHEMBL6091402 0.79 KDR (0.38) KDRGAAKMT2ANPC1MAPT
SCHEMBL6091408 0.79 KDR (0.38) KDRGAAKMT2ANPC1MAPT
SCHEMBL6092391 0.77 PDPK1 (0.41) PDPK1MAP4K1
SCHEMBL6092396 0.77 PDPK1 (0.41) PDPK1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed