SCHEMBL19785529

SCHEMBL19785529

COC(=O)CCSc1ccnc(N2CC(C#N)C2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ PRNP P04156 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ TTK P33981 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL21115204 0.83 THRB (0.34) THRB
SCHEMBL18319891 0.83 KMT2A (0.39) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL21154775 0.82 CYP3A4 (0.40) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL22493634 0.81 PTPN11 (0.37) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL22302407 0.80 THRB (0.38) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL18319841 0.75 KMT2A (0.45) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL29506060 0.75 KMT2A (0.45) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL29603922 0.74 KMT2A (0.44) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL18320486 0.74 KMT2A (0.44) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL18319553 0.74 KMT2A (0.40) KMT2APRNPPOLBRXFP1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 — — EP disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 — — WO disclosed
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