SCHEMBL7990817

SCHEMBL7990817

COc1cccc(-c2cncc(-c3cn(C(C)CN(C)C)c4cccc(Cl)c34)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
CYP11B1 P15538 6/20 0.36
CYP11B2 P19099 6/20 0.36
CYP17A1 P05093 2/20 0.35
AVPR1B P47901 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
SRC P12931 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL7986664 0.92 MAOB (0.40) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7986898 0.89 KDR (0.38) KDRFLT1FLT4MAPTGRIN1
SCHEMBL7548486 0.88 KDR (0.41) KDRFLT1FLT4GRIN1GRIN2B
SCHEMBL7546221 0.86 KDR (0.48) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7986476 0.85 KDR (0.39) KDRFLT1FLT4
SCHEMBL7552915 0.85 KDR (0.51) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7976435 0.84 PRKCA (0.42) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7550632 0.84 PDE4B (0.43) KDRFLT1FLT4CYP11B1CYP11B2
SCHEMBL7553622 0.82 KDR (0.55) KDRFLT1FLT4CYP3A4CYP2C9
SCHEMBL7990227 0.81 PDE4B (0.45) KDRFLT1FLT4CYP11B1CYP11B2

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