SCHEMBL17443378

SCHEMBL17443378

[CH2]c1ccccc1NC(=O)C=C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 10/20 0.57
▸ PTPN1 P18031 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ F13A1 P00488 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TGM1 P22735 1/20 0.44
▸ TGM3 Q08188 1/20 0.44
▸ BTK Q06187 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ GSTO1 P78417 2/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL613090 0.87 TGM2 (0.65) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL31228347 0.87 TGM2 (0.65) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL413017 0.80 MMP1 (0.59) TGM2PTPN1PTPN11LMNAKDM4E
SCHEMBL29366956 0.80 MMP1 (0.59) TGM2PTPN1PTPN11LMNAKDM4E
SCHEMBL2761954 0.80 TGM2 (0.62) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL9357321 0.80 TGM2 (0.57) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL23653363 0.78 TGM2 (0.55) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL11883844 0.78 TGM2 (0.55) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL3690870 0.78 TGM2 (0.55) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL11808631 0.78 EGFR (0.60) TGM2PTPN1PTPN11F13A1LMNA

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-2016008411-A1 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF BEIGENE, LTD. (KY) 2016-01-21 — — WO disclosed
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