SCHEMBL29168725

SCHEMBL29168725

COc1ccc(Br)cc1-c1nc(N)c2cc(N)c(OC(F)F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.40
▸ AMY1A P0DUB6 2/20 0.39
▸ DHFR P00374 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ AGPAT2 O15120 1/20 0.37
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35

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
SCHEMBL30031328 1.00 SLC2A1 (0.40) SLC2A1AMY1ADHFRNPC1TSHR
SCHEMBL30031048 0.90 SLC2A1 (0.45) SLC2A1AMY1ADHFRNPC1TSHR
SCHEMBL29168726 0.82 DHFR (0.43) SLC2A1AMY1ADHFRNPC1TSHR
SCHEMBL30030889 0.82 DHFR (0.43) SLC2A1AMY1ADHFRNPC1TSHR
SCHEMBL15877172 0.80 SLC2A1 (0.43) SLC2A1AMY1ADHFRNPC1HTT
SCHEMBL15877057 0.72 DHPS (0.54) SLC2A1GAAPOLBKMT2ALMNA
SCHEMBL29168707 0.71 EGFR (0.61) NPC1TSHREGFRMAPT
SCHEMBL30820387 0.71 EGFR (0.61) NPC1TSHREGFRMAPT
SCHEMBL30031538 0.70 AMY1A (0.45) AMY1ADHFRNPC1TSHRRAB9A
SCHEMBL15877070 0.70 MAPT (0.38) SLC2A1DHFRGAAPOLBKMT2A

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
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN disclosed
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