SCHEMBL7992905

SCHEMBL7992905

CC[C@H](CCc1cccs1)Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
TAAR1 Q96RJ0 1/20 0.31
RIPK1 Q13546 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 2/20 0.30
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7670042 0.84 HTR7 (0.48) HTR6HTR2CHTR7ADORA3ADORA2A
SCHEMBL7982764 0.84 POLB (0.39) HTR6HTR2CHTR7RIPK1TSHR
SCHEMBL7983650 0.83 POLB (0.43) ADORA3ADORA2AADORA2BADORA1RIPK1
SCHEMBL3433353 0.82 HTR7 (0.41) HTR6HTR2CHTR7TSHR
SCHEMBL8517250 0.81 TSHR (0.34) TSHR
SCHEMBL7676182 0.80 HTR2C (0.35) HTR6HTR2CHTR7TSHRLMNA
SCHEMBL6262284 0.79 KCNH2 (0.32) ADORA1TSHRMEN1KMT2A
SCHEMBL8134827 0.79 HTR2C (0.37) HTR6HTR2CHTR7TSHRLMNA
SCHEMBL6261553 0.79 TSHR (0.33) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL6265865 0.77 TLR8 (0.35)

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
WO-2001005786-A3 USE OF OPTICALLY ACTIVE THIENYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AG (DE) 2001-07-19 WO disclosed
WO-2001005786-A2 USE OF OPTICALLY ACTIVE THIENYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed