SCHEMBL5864553

SCHEMBL5864553

CSc1nc(N)nc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.52
HSP90AA1 P07900 7/20 0.42
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5864484 0.86 HSP90AB1 (0.50) HSP90AB1HSP90AA1POLB
SCHEMBL6307209 0.81 HSP90AB1 (0.54) HSP90AB1HSP90AA1MAPTKDM4ENPC1
SCHEMBL9350626 0.79 HSP90AB1 (0.52) HSP90AB1HSP90AA1POLB
SCHEMBL5864575 0.78 HSP90AB1 (0.50) HSP90AB1HSP90AA1POLB
SCHEMBL24228122 0.77 TSHR (0.43) HSP90AB1HSP90AA1TSHRLMNAMAPT
SCHEMBL6003419 0.77 TSHR (0.43) HSP90AB1HSP90AA1TSHRLMNAMAPT
SCHEMBL8071682 0.77 HSP90AB1 (0.71) HSP90AB1HSP90AA1POLB
SCHEMBL3631158 0.77 HSP90AB1 (0.71) HSP90AB1HSP90AA1LMNAMAPTKDM4E
SCHEMBL23523689 0.75 HSP90AB1 (0.47) HSP90AB1HSP90AA1HSD17B10POLB
SCHEMBL9199934 0.72 HSP90AB1 (0.48) HSP90AB1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5262749-A None JP disclosed
US-7002011-B1 Process for the preparation of 2-amino-4-chloro-1,3,5-triazines AVENTIS CROPSCIENCE GMBH (DE) 2006-02-21 US disclosed
EP-1097146-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES Aventis CropScience GmbH (DE) 2001-05-09 EP disclosed
WO-2000002868-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES AVENTIS CROPSCIENCE GMBH (DE) 2000-01-20 WO disclosed
EP-0545149-B1 Process for the preparation of 6-trifluoromethyl-1,3,5-triazine derivatives BASF AG (DE) 1994-09-07 EP disclosed
JP-H05262749-A PRODUCTION OF 6-TRIFLUOROMETHYL-1,3,5 TRIAZINE BASF AG 1993-10-12 JP disclosed
EP-0545149-A1 Process for the preparation of 6-trifluoromethyl-1,3,5-triazine derivatives BASF Aktiengesellschaft (DE) 1993-06-09 EP disclosed