SCHEMBL6100715

SCHEMBL6100715

Cc1[nH]c(C=C2C(=O)NN=C2C2CC2)c(C2CC2)c1CCCCNC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 4/20 0.31
HRH3 Q9Y5N1 4/20 0.31

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
SCHEMBL6100707 1.00 CHEK1 (0.36) CHEK1LMNASMN1; SMN2HRH4HRH3
SCHEMBL6089392 0.85 KDR (0.37) CHEK1LMNASMN1; SMN2
SCHEMBL6089412 0.85 KDR (0.37) CHEK1LMNASMN1; SMN2
SCHEMBL6092978 0.84 KDR (0.36) CHEK1LMNASMN1; SMN2HRH4HRH3
SCHEMBL6092995 0.84 KDR (0.36) CHEK1LMNASMN1; SMN2HRH4HRH3
SCHEMBL6088724 0.83 KDR (0.35) CHEK1LMNASMN1; SMN2HRH4HRH3
SCHEMBL6088715 0.83 KDR (0.35) CHEK1LMNASMN1; SMN2HRH4HRH3
SCHEMBL6091568 0.83 LMNA (0.35) CHEK1LMNASMN1; SMN2
SCHEMBL6091562 0.83 LMNA (0.35) CHEK1LMNASMN1; SMN2
SCHEMBL6092081 0.83 KDR (0.37) CHEK1LMNASMN1; SMN2

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