SCHEMBL7976990

SCHEMBL7976990

Clc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2CCCN1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.78
FLT1 P17948 5/20 0.78
FLT4 P35916 5/20 0.78
NFATC1 O95644 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP2A6 P11509 1/20 0.39
TMEM97 Q5BJF2 2/20 0.39
HTR6 P50406 1/20 0.36
SMYD2 Q9NRG4 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL7551421 0.94 KDR (0.77) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7990844 0.93 KDR (0.78) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7550302 0.93 KDR (0.78) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7551629 0.88 KDR (0.60) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7554703 0.88 KDR (1.00) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7557243 0.87 KDR (0.77) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7554690 0.87 KDR (0.63) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7549911 0.86 KDR (0.74) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7986894 0.86 KDR (0.74) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7977669 0.86 KDR (0.78) KDRFLT1FLT4NFATC1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed