SCHEMBL5648375

SCHEMBL5648375

Nc1cnc(NC(=O)c2cc(F)c(F)cc2Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PYGL P06737 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL5648273 0.81 NPC1 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL1941314 0.77 KCNQ3 (0.60) NPC1RAB9ASMN1; SMN2
SCHEMBL17143040 0.76 NPC1 (0.63) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5653845 0.76 HPGD (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5652183 0.70 HDAC3 (0.46)
SCHEMBL5648961 0.69 CYP1A2 (0.54) RAB9AKMT2AMEN1HTTALDH1A1
SCHEMBL7979814 0.69 POLB (0.66) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL24869218 0.68 BRAF (0.50) NPC1RAB9AKMT2AHTTRECQL
SCHEMBL5649097 0.68 KCNQ3 (0.61) KMT2AMEN1POLBHPGDHTT
SCHEMBL15774503 0.67 SMN1; SMN2 (0.63) NPC1RAB9AKMT2AMEN1HPGD

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
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed