SCHEMBL255619

SCHEMBL255619

Nc1nc(Nc2ccc(Br)cc2)nc2[nH]c(=O)c(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.49
▸ MAPT P10636 7/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TP53 P04637 4/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PABPC1 P11940 1/20 0.38

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
SCHEMBL255623 0.84 MAPT (0.39) ADRB2MAPTRAB9ANPC1LMNA
SCHEMBL16986344 0.77 ADRB2 (0.48) ADRB2MAPTRAB9ANPC1MEN1
SCHEMBL255621 0.75 MEN1 (0.46) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL16986357 0.74 NPC1 (0.49) ADRB2MAPTRAB9ANPC1MEN1
SCHEMBL16287646 0.69 NPC1 (0.45) ADRB2MAPTRAB9ANPC1MEN1
SCHEMBL16986338 0.69 NPC1 (0.46) ADRB2MAPTRAB9ANPC1MEN1
SCHEMBL25495161 0.68 MAPT (0.49) ADRB2MAPTRAB9ANPC1LMNA
SCHEMBL16146748 0.68 RAB9A (0.47) ADRB2MAPTRAB9ANPC1LMNA
SCHEMBL2126846 0.67 RAB9A (0.58) ADRB2MAPTRAB9ANPC1LMNA
SCHEMBL2454054 0.67 RAB9A (0.58) ADRB2MAPTRAB9ANPC1LMNA

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-2012028756-A1 PREPARATION OF SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE COMPOUNDS INSTITUT QUÍMIC DE SARRIÀ CETS, FUNDACIÓ PRIVADA (ES) 2012-03-08 — — WO disclosed
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