SCHEMBL7844252

SCHEMBL7844252

CC(=O)c1ccccc1Nc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SIRT2 Q8IXJ6 4/20 0.54
NPC1 O15118 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
CDC7 O00311 1/20 0.52
DAPK3 O43293 1/20 0.52
PAK4 O96013 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
FLT3 P36888 1/20 0.52
GSK3B P49841 1/20 0.52
CDK9 P50750 1/20 0.52
CDK5 Q00535 1/20 0.52
DYRK1A Q13627 1/20 0.52
MELK Q14680 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
STK17A Q9UEE5 1/20 0.52

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
SCHEMBL30567365 1.00 MEN1 (0.56) MEN1KMT2ASIRT2NPC1CYP2C19
SCHEMBL30567367 0.85 MAPT (0.68) MEN1KMT2ASIRT2MAPTALOX15
SCHEMBL848485 0.85 MAPT (0.68) MEN1KMT2ASIRT2MAPTALOX15
SCHEMBL10936401 0.84 MEN1 (0.58) MEN1KMT2ASIRT2MAPTLMNA
SCHEMBL8052123 0.84 MEN1 (0.58) MEN1KMT2ASIRT2NPC1RAB9A
SCHEMBL30294594 0.84 FABP4 (0.71) MEN1KMT2ACDC7DAPK3PAK4
SCHEMBL354430 0.84 FABP4 (0.71) MEN1KMT2ACDC7DAPK3PAK4
SCHEMBL22853361 0.83 MAPT (0.76) KMT2ASIRT2CYP2C19CDC7DAPK3
SCHEMBL7833932 0.83 AKR1C3 (0.44) MEN1KMT2ACDK2MAPTAKR1C3
SCHEMBL6620978 0.83 AKR1C3 (0.57) MEN1KMT2ASIRT2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589406-A Preparation method of polysubstituted acridine derivative 深圳职业技术学院 2023-08-15 CN disclosed
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed