SCHEMBL7697763

SCHEMBL7697763

C=CC(=O)N1CCc2ccc(Cl)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.53
CDK12 Q9NYV4 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ACHE P22303 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
AKR1C3 P42330 2/20 0.45
PAX8 Q06710 1/20 0.45
KRAS P01116 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29357750 1.00 CCNK (0.53) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL27229646 0.86 CCNK (0.47) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL30924630 0.86 CCNK (0.47) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL19974957 0.83 MAPT (0.54) KMT2AMEN1MAPTTAAR1TAS1R3
SCHEMBL30062957 0.83 MAPT (0.54) KMT2AMEN1MAPTTAAR1TAS1R3
SCHEMBL30924679 0.83 NPC1 (0.55) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL30924585 0.83 BTK (0.45) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL27229676 0.83 NPC1 (0.55) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL27229655 0.83 BTK (0.45) CCNKCDK12KMT2AMEN1MAPT
SCHEMBL22461184 0.82 ABHD6 (0.54) CCNKCDK12KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941905-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2022-01-26 EP claimed
WO-2020191151-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2020-09-24 WO claimed
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed