SCHEMBL22691826

SCHEMBL22691826

C1=NN(c2ccsc2)C(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 18/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11066334 0.82 RIPK1 (0.50) RIPK1ALDH1A1KDM4EMEN1GLA
SCHEMBL27547538 0.75 CA1 (0.45) RIPK1ALDH1A1
SCHEMBL3679184 0.75 SMN1; SMN2 (0.52) RIPK1ALDH1A1MEN1POLBMAPT
SCHEMBL9843626 0.72 PRKCZ (0.54) RIPK1ALDH1A1MEN1KMT2AATM
SCHEMBL25370685 0.70 MAPT (0.62) RIPK1ALDH1A1MEN1POLBMAPT
SCHEMBL6225415 0.70 CA1 (0.61) ALDH1A1KDM4EGLAMAPTATM
SCHEMBL27556930 0.70 RIPK1 (0.44) RIPK1ALDH1A1
SCHEMBL5693255 0.70 PTGS2 (0.55) RIPK1ALDH1A1KDM4EMEN1GLA
SCHEMBL22689665 0.68 ADORA2A (0.39) RIPK1ALDH1A1MEN1POLBMAPT
SCHEMBL9380053 0.66 RIPK1 (0.53) RIPK1ALDH1A1

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-2020235902-A1 HETEROCYCLE-FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF 주식회사 보로노이 (KR) 2020-11-26 — — WO claimed
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