SCHEMBL3477844

SCHEMBL3477844

CC(C)(C)[CH]c1c[nH]c(-c2cccnc2F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.33
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPT P10636 3/20 0.32
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
HASPIN Q8TF76 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL1835155 0.81 KMT2A (0.47) TDO2KMT2ACHEK1MAPTCCNT1
SCHEMBL3477845 0.74 ALOX5AP (0.36) TDO2MAPTCYP11B2
SCHEMBL2409910 0.72 KMT2A (0.45) TDO2KMT2ACHEK1MAPTCCNT1
SCHEMBL14899993 0.72 GPR84 (0.36) TDO2MAPTCYP11B2
SCHEMBL2414762 0.70 KMT2A (0.38) KMT2ACHEK1
SCHEMBL13437106 0.70 NAPRT (0.42) TDO2KMT2ACDK9HASPIN
SCHEMBL1278427 0.70 KMT2A (0.45) KMT2ACHEK1MAPTCCNT1CDK9
SCHEMBL12417811 0.69 GPR84 (0.39) TDO2MAPT
SCHEMBL12417843 0.69 GPR84 (0.40) TDO2MAPTCYP11B2
SCHEMBL1833181 0.66 NUDT1 (0.38) TDO2MAPTCYP11B2

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
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed