SCHEMBL21548885

SCHEMBL21548885

CCOc1nc(C(N)=O)nc(CC)c1Cc1cccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 2/20 0.39
▸ GRM4 Q14833 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CFD P00746 9/20 0.37
▸ CSF1R P07333 2/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL20356518 0.91 KMO (0.39) CD38GRM4ALDH1A1KMT2AATM
Hydrochloric Acid SCHEMBL21526103 0.90 KMO (0.38) CD38GRM4ALDH1A1KMT2AATM
SCHEMBL21548886 0.82 GRM4 (0.35) GRM4ALDH1A1KMT2AATML3MBTL1
SCHEMBL21526043 0.80 GAA (0.39) ALDH1A1KMT2AATML3MBTL1MAPK8
SCHEMBL20356519 0.79 MAPK8 (0.38) ALDH1A1L3MBTL1MAPK8MAPK9
Hydrochloric Acid SCHEMBL21526076 0.78 MAPK8 (0.38) ALDH1A1KMT2AL3MBTL1MAPK8MAPK9
SCHEMBL20356522 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AATML3MBTL1JAK3
Hydrochloric Acid SCHEMBL21526057 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AATML3MBTL1JAK3
SCHEMBL20356521 0.75 LMNA (0.42) ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL21526086 0.74 LMNA (0.42) ALDH1A1KMT2AL3MBTL1

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
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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