SCHEMBL19785098

SCHEMBL19785098

COC(=O)CCSc1ccnc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.35
APP P05067 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL18319841 0.86 KMT2A (0.45) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL29506060 0.86 KMT2A (0.45) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL29603922 0.85 KMT2A (0.44) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL18320486 0.85 KMT2A (0.44) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL22303458 0.84 KMT2A (0.42) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL30660933 0.84 KMT2A (0.43) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL18320494 0.84 KMT2A (0.43) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL19785096 0.83 KMT2A (0.43) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL22692893 0.81 KMT2A (0.41) KMT2APRNPPOLBRXFP1CXCR1
SCHEMBL18319553 0.80 KMT2A (0.40) KMT2APRNPPOLBRXFP1CXCR1

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