SCHEMBL21548857

SCHEMBL21548857

CCOc1nc(C)nc(CC)c1Cc1cccc(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ANO1 Q5XXA6 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
SCHEMBL21548940 0.89 CCR4 (0.35) KMT2AALDH1A1L3MBTL1PDCD1LG2CD274
SCHEMBL21548814 0.88 LMNA (0.39) KMT2AALDH1A1L3MBTL1LMNAMEN1
SCHEMBL21548886 0.86 GRM4 (0.35) KMT2AALDH1A1ATML3MBTL1MEN1
SCHEMBL20356522 0.83 ALDH1A1 (0.38) KMT2AALDH1A1ATML3MBTL1PDCD1LG2
Hydrochloric Acid SCHEMBL21526057 0.82 ALDH1A1 (0.37) KMT2AALDH1A1ATML3MBTL1LMNA
SCHEMBL21548856 0.79 HTT (0.40) KMT2AALDH1A1LMNAMEN1
SCHEMBL21526068 0.75 PTPN11 (0.36) KMT2AALDH1A1ATML3MBTL1PDCD1LG2
SCHEMBL21526043 0.74 GAA (0.39) KMT2AALDH1A1ATML3MBTL1MEN1
SCHEMBL21526060 0.73 CCR4 (0.35) ALDH1A1CD274
SCHEMBL21526129 0.72 GAA (0.33) KMT2AALDH1A1ATML3MBTL1

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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