SCHEMBL7976012

SCHEMBL7976012

N#CC1CCN(CCn2cc(-c3cncc(-c4ccsc4)c3)c3ccc(Cl)cc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
FLT1 P17948 4/20 0.58
FLT4 P35916 4/20 0.58
CYP2A6 P11509 4/20 0.36
NFATC1 O95644 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
TDP2 O95551 1/20 0.32
HTR7 P34969 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
CXCR3 P49682 1/20 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
SCHEMBL7976915 0.93 KDR (0.59) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7551299 0.89 KDR (0.44) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7546102 0.89 KDR (0.75) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7550379 0.88 KDR (0.47) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7550486 0.87 KDR (0.44) KDRFLT1FLT4NFATC1GSK3B
SCHEMBL7557243 0.87 KDR (0.77) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7993928 0.86 KDR (0.78) KDRFLT1FLT4CYP2A6NFATC1
SCHEMBL7994055 0.84 KDR (0.56) KDRFLT1FLT4CYP2A6TDP2
SCHEMBL7549555 0.83 KDR (0.56) KDRFLT1FLT4CYP2A6GSK3B
SCHEMBL7550682 0.82 KDR (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265473-B1 STABILIZER; HEAT AND OXIDATION RESISTANCE; PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORP. 2001-07-24 US disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed