SCHEMBL29412873

SCHEMBL29412873

O=C(NCCN1CCCC1)c1cccnc1Nc1cc2c(cc1Br)OC(F)(F)O2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLR1A O95602 5/20 0.53
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ TGFBR2 P37173 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ PDPK1 O15530 1/20 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
SCHEMBL25343849 1.00 POLR1A (0.53) POLR1AADRA2AADRA2BADRA2CMKNK2
SCHEMBL25345879 0.90 POLR1A (0.42) POLR1AADRA2AADRA2BADRA2CTGFBR1
SCHEMBL29412835 0.90 POLR1A (0.42) POLR1AADRA2AADRA2BADRA2CTGFBR1
SCHEMBL29412868 0.86 KIT (0.46) KITBRAF
SCHEMBL25342226 0.86 KIT (0.46) KITBRAF
SCHEMBL25345557 0.81 MAPT (0.43) KITBRAF
SCHEMBL29412915 0.81 MAPT (0.43) KITBRAF
SCHEMBL25342511 0.78 DHODH (0.49) —
SCHEMBL29412850 0.78 DHODH (0.49) —
SCHEMBL29412857 0.78 DHODH (0.49) —

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
Send feedback