SCHEMBL25439587

SCHEMBL25439587

CCOc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)Nc1ccc2nn(C)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.54
▸ MAPT P10636 4/20 0.43
▸ MAT2A P31153 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ NAMPT P43490 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
SCHEMBL30421525 1.00 PTPN11 (0.54) PTPN11MAPTMAT2AMEN1TSHR
SCHEMBL25439758 0.90 PTPN11 (0.48) PTPN11MAPTMAT2AIRAK4POLB
SCHEMBL25214352 0.86 PTPN11 (0.51) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL30423069 0.85 PTPN11 (0.50) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL25438924 0.85 PTPN11 (0.50) PTPN11MAPTMEN1TSHRKMT2A
SCHEMBL31485521 0.85 MAT2A (0.47) PTPN11MAPTMAT2APOLBNOTUM
SCHEMBL30422948 0.85 MAT2A (0.43) PTPN11MAPTMAT2ATP53IRAK4
Hydrochloric Acid SCHEMBL30422152 0.85 MAT2A (0.47) PTPN11MAPTMAT2APOLBNOTUM
Hydrochloric Acid SCHEMBL25213549 0.85 MAT2A (0.47) PTPN11MAPTMAT2APOLBNOTUM
SCHEMBL30422586 0.84 MAT2A (0.42) PTPN11MAPTMAT2AIRAK4POLB

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-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 — — WO disclosed
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