SCHEMBL8440869

SCHEMBL8440869

CCNc1nc(Cl)cc(C)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
PGK1 P00558 3/20 0.46
MAPK8 P45983 1/20 0.43
TSHR P16473 1/20 0.43
ADORA1 P30542 3/20 0.41
AURKA O14965 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL29986241 0.83 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL10102084 0.83 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL11465165 0.82 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDMAPK8
SCHEMBL11326931 0.81 MAPK8 (0.51) KDM4EHSD17B10ALDH1A1HPGDPGK1
SCHEMBL14004275 0.79 AURKA (0.46) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL14004274 0.76 AURKA (0.44) KDM4EHSD17B10ALDH1A1HPGDMAPK8
SCHEMBL8442022 0.75 L3MBTL1 (0.48) KDM4EHSD17B10ALDH1A1HPGDPGK1
SCHEMBL31384575 0.75 ALDH1A1 (0.74) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL9956692 0.75 ALDH1A1 (0.74) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL29496331 0.74 L3MBTL1 (0.57) KDM4EHSD17B10ALDH1A1HPGDTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0688318-B1 PROCESS FOR PRODUCING DIAMINO PYRIDINES BASF AG (DE) 1999-02-17 EP disclosed
US-5536840-A AMINATION OF DICHLOROPYRIDINE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
EP-0688318-A1 PROCESS FOR PRODUCING DIAMINO PYRIDINES BASF Aktiengesellschaft (DE) 1995-12-27 EP disclosed
WO-1994020469-A1 PROCESS FOR PRODUCING DIAMINO PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1994-09-15 WO disclosed