SCHEMBL6088964

SCHEMBL6088964

Cc1cccc2c(/C=C3\C(=O)NN=C3C(C)c3ccccc3)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
CHEK1 O14757 3/20 0.40
RRM1 P23921 1/20 0.36
HAT1 O14929 3/20 0.35
EP300 Q09472 3/20 0.35
SOS2 Q07890 1/20 0.34
KDR P35968 4/20 0.34
NTRK1 P04629 2/20 0.34
RET P07949 2/20 0.34
FLT3 P36888 2/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL6091404 0.84 NTRK1 (0.50) CHEK1KDRNTRK1RETFLT3
SCHEMBL6089908 0.81 CHEK1 (0.55) CHEK1KDRNTRK1RETPRKD3
SCHEMBL6092741 0.80 NTRK1 (0.47) KDRNTRK1RETFLT3DAPK3
SCHEMBL6088919 0.78 TRIM24 (0.47) TRIM24TRIM33CHEK1RRM1SOS2
SCHEMBL6088915 0.78 TRIM24 (0.47) TRIM24TRIM33CHEK1RRM1SOS2
SCHEMBL6088703 0.77 NTRK1 (0.46) HAT1EP300KDRNTRK1RET
SCHEMBL6090640 0.77 NTRK1 (0.46) CHEK1KDRNTRK1RETFLT3
SCHEMBL6091520 0.77 NTRK1 (0.46) CHEK1KDRNTRK1RETFLT3
SCHEMBL6088969 0.77 TRIM24 (0.45) TRIM24TRIM33CHEK1RRM1HAT1
SCHEMBL6091501 0.75 NTRK1 (0.48) CHEK1KDRNTRK1RETFLT3

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