SCHEMBL6090357

SCHEMBL6090357

COC(=O)c1ccc(C(C)C2=NNC(=O)/C2=C\c2c[nH]c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK7 P50613 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42

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
SCHEMBL6091501 0.86 NTRK1 (0.48) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6091520 0.86 NTRK1 (0.46) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6091404 0.86 NTRK1 (0.50) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6092741 0.85 NTRK1 (0.47) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6090640 0.84 NTRK1 (0.46) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6088703 0.84 NTRK1 (0.46) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6088474 0.82 RET (0.53) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6091175 0.79 PDE2A (0.38) KDRRAB9AALDH1A1KDM4EMAPT
SCHEMBL6090360 0.79 RAB9A (0.42) NTRK1KDRFLT3DAPK3PRKD3
SCHEMBL6090452 0.79 NTRK1 (0.54) NTRK1KDRFLT3DAPK3PRKD3

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