SCHEMBL30440643

SCHEMBL30440643

COc1ccc(Br)cc1-c1ccn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL25276481 1.00 MGAM (0.46) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL25731715 0.82 ACHE (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27316377 0.78 USP7 (0.44) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL24655966 0.78 KMT2A (0.41) SMN1; SMN2KMT2AALDH1A1
SCHEMBL14125145 0.76 GAA (0.56) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL12844824 0.76 KMT2A (0.50) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL29685392 0.76 KMT2A (0.50) GAAKMT2ATSHRALDH1A1LMNA
SCHEMBL21818874 0.76 LMNA (0.54) MAPK1TSHRRAB9ALMNAHTT
SCHEMBL14401081 0.75 TDP1 (0.50) SMN1; SMN2KMT2AMEN1RAB9AALDH1A1
SCHEMBL16911735 0.74 MAPT (0.52) GAASMN1; SMN2KMT2AMEN1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 — — CN disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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