SCHEMBL6087983

SCHEMBL6087983

O=C1NN=C(CCCc2ccccc2)/C1=C\c1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.45
KDR P35968 4/20 0.45
PDPK1 O15530 4/20 0.45
RET P07949 2/20 0.45
PDGFRB P09619 2/20 0.45
FLT3 P36888 2/20 0.45
JAK3 P52333 2/20 0.45
TLK2 Q86UE8 2/20 0.45
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL6087985 1.00 NTRK1 (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6091447 0.92 PDPK1 (0.47) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6088506 0.82 PDPK1 (0.46) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6088502 0.82 PDPK1 (0.46) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6089527 0.81 PDGFRB (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6091278 0.81 PDPK1 (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6088060 0.81 PDPK1 (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6090443 0.81 PDPK1 (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6091275 0.81 PDPK1 (0.45) NTRK1KDRPDPK1RETPDGFRB
SCHEMBL6091697 0.79 TLK2 (0.48) NTRK1KDRPDPK1RETPDGFRB

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