SCHEMBL7833932

SCHEMBL7833932

CC(=O)c1ccc(F)cc1Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PRKD3 O94806 1/20 0.44
EGFR P00533 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 2/20 0.43

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
SCHEMBL7844253 0.90 AKR1C3 (0.51) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL19934156 0.83 AKR1C3 (0.56) AKR1C3AKR1C2MAPTIDO1TDO2
SCHEMBL30567365 0.83 MEN1 (0.56) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL7844252 0.83 MEN1 (0.56) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL9722931 0.80 CES2 (0.44) PRKCIHDAC1CLCN2
SCHEMBL21327632 0.79 AKR1C3 (0.65) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL31563092 0.77 AKR1C3 (0.59) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL1415570 0.77 MAPT (0.56) AKR1C3AKR1C2MEN1KMT2APRKD3
SCHEMBL848085 0.76 AKR1C3 (0.60) AKR1C3AKR1C2PRKD3MAPTCLCN2
SCHEMBL6950478 0.75 AKR1C3 (0.50) AKR1C3AKR1C2MEN1KMT2ACLCN2

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-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