SCHEMBL10151709

SCHEMBL10151709

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(C)c(N=O)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
ABL1 P00519 3/20 0.38
HPGDS O60760 2/20 0.37
SCD O00767 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
DEGS1 O15121 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
THRB P10828 1/20 0.34
MTOR P42345 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL10151397 0.91 RXFP1 (0.37) RXRAHPGDSSCDPOLBMEN1
SCHEMBL646580 0.88 DEGS1 (0.45) ABL1HPGDSPOLBMEN1KMT2A
SCHEMBL646827 0.88 MAPT (0.41) RXRAABL1HPGDSPOLBMEN1
SCHEMBL648016 0.87 LIPE (0.43) HPGDSSCDKDRDEGS1MAPT
SCHEMBL646969 0.86 MEN1 (0.44) HPGDSSCDPOLBMEN1KMT2A
SCHEMBL646803 0.86 MEN1 (0.46) SCDPOLBMEN1KMT2ARAB9A
SCHEMBL645596 0.86 MEN1 (0.44) ABL1HPGDSSCDPOLBMEN1
SCHEMBL646906 0.86 HPGDS (0.40) RXRAABL1HPGDSKDRDEGS1
SCHEMBL646832 0.86 NPC1 (0.47) ABL1SCDPOLBMEN1KMT2A
SCHEMBL648772 0.86 F10 (0.42) HPGDSPOLBMEN1KMT2ADEGS1

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-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed