SCHEMBL30808190

SCHEMBL30808190

Cc1cc(Br)c2nc(N3CCN(c4ccccc4F)CC3)cnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ MET P08581 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 2/20 0.42
▸ HTR3A P46098 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL30808193 0.84 MAPT (0.57) MAPTLMNASMN1; SMN2NFKB1NFKB2
SCHEMBL30808197 0.80 MET (0.50) MAPTSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30808192 0.80 MET (0.50) SMN1; SMN2METKDM4EGAAHTR3A
SCHEMBL30808201 0.79 MET (0.49) MAPTLMNASMN1; SMN2NPSR1MET
SCHEMBL30808177 0.77 MET (0.47) MAPTLMNASMN1; SMN2METALDH1A1
SCHEMBL18739629 0.77 MET (0.47) MAPTLMNASMN1; SMN2METALDH1A1
SCHEMBL7697304 0.75 MAPT (0.77) MAPTLMNASMN1; SMN2NFKB1NFKB2
SCHEMBL30808158 0.74 AKT1 (0.56) MAPTLMNASMN1; SMN2NFKB1NFKB2
SCHEMBL16071189 0.71 SMN1; SMN2 (0.57) MAPTLMNASMN1; SMN2NFKB1NFKB2
SCHEMBL30808150 0.70 MET (0.41) MAPTLMNASMN1; SMN2NFKB1NFKB2

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-2024026419-A1 QUINOXALINE DERIVATIVES AS PIK3 ALPHA MODULATORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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