SCHEMBL6969664

SCHEMBL6969664

CN(C)C=C(CS)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 9/20 0.43
CES1 P23141 9/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13729327 0.84 CES2 (0.53) EGFRRAB9ALMNACES2CES1
SCHEMBL649673 0.79 CES2 (0.58) EGFRRAB9ALMNACES2CES1
SCHEMBL1912788 0.79 CES2 (0.58) EGFRRAB9ALMNACES2CES1
SCHEMBL3559979 0.76 CES2 (0.52) EGFRRAB9ALMNACES2CES1
SCHEMBL8798863 0.74 CES2 (0.54) EGFRRAB9ALMNACES2CES1
SCHEMBL14368161 0.74 CES2 (0.54) EGFRRAB9ALMNACES2CES1
SCHEMBL5216998 0.74 CES2 (0.50) EGFRRAB9ALMNACES2CES1
SCHEMBL5216994 0.74 CES2 (0.50) EGFRRAB9ALMNACES2CES1
SCHEMBL4291907 0.73 RAB9A (0.48) EGFRRAB9ALMNACES2CES1
SCHEMBL4291901 0.73 RAB9A (0.48) EGFRRAB9ALMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed