SCHEMBL21548940

SCHEMBL21548940

CCc1nc(C)nc(OC)c1Cc1cccc(F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 8/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CD274 Q9NZQ7 6/20 0.32
▸ PDCD1LG2 Q9BQ51 4/20 0.32
▸ PDCD1 Q15116 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ LMNA P02545 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
SCHEMBL21548857 0.89 KMT2A (0.34) CD274PDCD1LG2MEN1ALDH1A1KMT2A
SCHEMBL21526060 0.83 CCR4 (0.35) CCR4KDM4ECD274PDCD1ALDH1A1
SCHEMBL21548877 0.81 ALDH1A1 (0.43) CD274PDCD1LG2PKMALDH1A1KMT2A
SCHEMBL21548814 0.76 LMNA (0.39) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL21548886 0.75 GRM4 (0.35) CCR4MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL21548888 0.74 SMN1; SMN2 (0.41) CCR4KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL20356755 0.73 CCR4 (0.38) CCR4CD274PDCD1LG2MEN1MAPT
SCHEMBL20356522 0.73 ALDH1A1 (0.38) KDM4ECD274PDCD1LG2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL21526057 0.72 ALDH1A1 (0.37) KDM4EALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL21548847 0.70 KDM4E (0.42) KDM4EMEN1ALDH1A1KMT2AL3MBTL1

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
Send feedback