SCHEMBL6614530

SCHEMBL6614530

C[C](C)Cc1ccc2nn(C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NSD2 O96028 1/20 0.41
SLC5A2 P31639 1/20 0.40
NOTUM Q6P988 1/20 0.39
GRIN2B Q13224 2/20 0.37
MAT2A P31153 4/20 0.35
MAPK1 P28482 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MLLT1 Q03111 1/20 0.32

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
SCHEMBL29306052 0.87 KDM4C (0.45) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL3436381 0.83 KDM4E (0.49) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL30334651 0.83 KDM4E (0.50) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL14405817 0.81 KDM4E (0.44) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL4397813 0.81 KDM4E (0.46) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL22719033 0.80 HPGD (0.46) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL904681 0.79 KDM4E (0.49) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL18339245 0.79 KDM4E (0.45) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL22719032 0.78 SMN1; SMN2 (0.47) KDM4EMAOAMAOBKDM4CMAPT
SCHEMBL22032485 0.77 KDM4E (0.49) KDM4EMAOAMAOBKDM4CMAPT

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-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed