SCHEMBL6978712

SCHEMBL6978712

CCN(CC)c1ccc(Nc2ccnc(Cl)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6980361 0.83 MEN1 (0.58) MEN1KMT2AKDM1AALDH1A1MAPK1
SCHEMBL3023232 0.80 GFER (0.42) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL5394104 0.78 EPHB4 (0.45) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL27625434 0.75 NFKB1 (0.56) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL4813138 0.75 AURKA (0.60) MEN1KMT2AKDM1AALDH1A1RAB9A
SCHEMBL5263722 0.74 PIK3CA (0.48) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL5443900 0.74 SCN9A (0.51) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL3302653 0.74 LMNA (0.67) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL4767203 0.74 NPC1 (0.46) MEN1KMT2AADRA2AALDH1A1MAPK1
SCHEMBL3988183 0.74 AURKA (0.65) MEN1KMT2AALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed