SCHEMBL29412868

SCHEMBL29412868

O=C(NCCO)c1cccnc1Nc1cc2c(cc1Br)OC(F)(F)O2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 9/20 0.46
▸ BRAF P15056 9/20 0.46
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ MT-CO2 P00403 1/20 0.37
▸ GPR52 Q9Y2T5 2/20 0.36

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
SCHEMBL25342226 1.00 KIT (0.46) KITBRAFMAPTMEN1KMT2A
SCHEMBL25345557 0.87 MAPT (0.43) KITBRAFMAPTMEN1KMT2A
SCHEMBL29412915 0.87 MAPT (0.43) KITBRAFMAPTMEN1KMT2A
SCHEMBL29412873 0.86 POLR1A (0.53) KITBRAF
SCHEMBL25343849 0.86 POLR1A (0.53) KITBRAF
SCHEMBL25345879 0.84 POLR1A (0.42) KITBRAFMAPTMEN1KMT2A
SCHEMBL29412835 0.84 POLR1A (0.42) KITBRAFMAPTMEN1KMT2A
SCHEMBL25342511 0.84 DHODH (0.49) MAPTMEN1KMT2ANPSR1CYP1A2
SCHEMBL29412850 0.84 DHODH (0.49) MAPTMEN1KMT2ANPSR1CYP1A2
SCHEMBL29412857 0.84 DHODH (0.49) MAPTMEN1KMT2ANPSR1CYP1A2

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-2022060799-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE THE JOHNS HOPKINS UNIVERSITY (US) 2022-03-24 — — WO disclosed
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