SCHEMBL2211969

SCHEMBL2211969

CC(=O)Nc1cccc(-c2ccc(-c3cc4ccnn4c(S(C)(=O)=O)n3)cc2)c1.CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc2ccnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.44
PIP4K2A P48426 1/20 0.44
PIP4K2B P78356 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RAD52 P43351 1/20 0.42
CA2 P00918 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL2882272 0.95 FYN (0.48) FYNPIP4K2APIP4K2BCYP17A1CYP11B1
SCHEMBL2882567 0.90 RAD52 (0.47) FYNPIP4K2APIP4K2BCYP17A1CYP11B1
SCHEMBL2214072 0.84 FYN (0.50) FYNRAD52MAPTMEN1KMT2A
SCHEMBL2876715 0.83 PLCG1 (0.43) MAPTMEN1KMT2ATP53RAB9A
SCHEMBL2882294 0.81 FYN (0.48) FYNPIP4K2APIP4K2BCYP17A1CYP11B1
SCHEMBL2882015 0.79 CYP17A1 (0.47) FYNCYP17A1CYP11B1CYP11B2RAD52
SCHEMBL2214081 0.78 SCD (0.42) CA2MAPTMEN1KMT2ACYP2C19
SCHEMBL2213858 0.78 CDK2 (0.42) CA2MAPTMEN1KMT2ATP53
SCHEMBL2209540 0.76 BPTF (0.36) MAPTMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2214323 0.75 ALDH1A1 (0.41) CA2MAPTMEN1KMT2ACYP3A4

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
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed