SCHEMBL13733402

SCHEMBL13733402

N#Cc1c(F)cc(-c2ccn[nH]2)c(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.42
IDO1 P14902 2/20 0.41
PIM1 P11309 1/20 0.41
HPGDS O60760 1/20 0.39
POLB P06746 1/20 0.36
PTPN11 Q06124 1/20 0.36
SCN9A Q15858 4/20 0.36
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 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
SCHEMBL16389085 0.87 NOTUM (0.41) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL1812515 0.77 IDO1 (0.40) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL1810095 0.75 NOTUM (0.51) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL1814795 0.75 NOTUM (0.59) NOTUMIDO1HPGDSPOLBPTPN11
Hydrochloric Acid SCHEMBL13733073 0.74 NOTUM (0.50) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL29176712 0.72 HPGDS (0.50) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL30970763 0.70 HPGDS (0.50) NOTUMIDO1PIM1HPGDSPOLB
SCHEMBL1820599 0.69 NOTUM (0.59) NOTUMPIM1HPGDSPOLBPTPN11
Hydrochloric Acid SCHEMBL1817306 0.68 NOTUM (0.57) NOTUMPIM1HPGDSPOLBPTPN11
SCHEMBL30970730 0.67 PIM1 (0.61) NOTUMIDO1PIM1HPGDSPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed