SCHEMBL13867950

SCHEMBL13867950

CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2C(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.54
NR1H2 P55055 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
WEE1 P30291 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 1/20 0.38
BTK Q06187 1/20 0.38
FLT1 P17948 2/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL3890961 0.90 KDR (0.56) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3815901 0.88 KDR (0.40) KDRNR1H2RAB9ASMN1; SMN2WEE1
SCHEMBL3959803 0.83 KDR (0.39) KDRNR1H2RAB9AWEE1FLT1
SCHEMBL187231 0.81 KDR (0.59) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3898376 0.80 KDR (0.54) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL4975909 0.80 VCP (0.43) KDRNR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL3818526 0.80 POLB (0.50) KDRNR1H2RAB9ASMN1; SMN2KDM4E
SCHEMBL445073 0.80 NR1H2 (0.41) KDRNR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL631358 0.80 KDR (0.55) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3891371 0.80 KDR (0.56) KDRTRPV1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed