SCHEMBL12428971

SCHEMBL12428971

CCCCCn1cc2c(C3C(=O)Nc4ccc(N)cc43)nc(NC)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
ADORA3 P0DMS8 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL14206417 0.88 KDR (0.33) KDRADORA3MEN1USP2POLB
SCHEMBL2076345 0.88 KDR (0.36) KDRADORA3
SCHEMBL12427883 0.88 KDR (0.33) KDRADORA3
SCHEMBL2076372 0.81 BCDIN3D (0.33) KDRADORA3ADORA2AADORA2BADORA1
SCHEMBL2076725 0.80 CNR1 (0.32) KDRADORA3ADORA2AADORA2BADORA1
SCHEMBL2078684 0.80 KDR (0.36) KDR
SCHEMBL2077564 0.78 AURKA (0.33) KDR
SCHEMBL2078312 0.78 TLR8 (0.35) KDRADORA3ADORA2AADORA2BADORA1
SCHEMBL2075216 0.77 LRRK2 (0.33) KDR
SCHEMBL12428993 0.76 USP2 (0.37) ADORA3USP2POLBMAPTADORA2A

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
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed