SCHEMBL6618549

SCHEMBL6618549

C[C](C)c1ccc2[nH]nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
MAPK1 P28482 11/20 0.42
MAP2K4 P45985 6/20 0.42
MAPKAPK3 Q16644 3/20 0.42
MAPK6 Q16659 3/20 0.42
MAPKAPK2 P49137 2/20 0.41
MAPKAPK5 Q8IW41 2/20 0.41
CYP1A2 P05177 1/20 0.41
JAK2 O60674 3/20 0.38
MAPK3 P27361 5/20 0.37
JAK1 P23458 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL16308650 0.86 KIF11 (0.50) ADORA2AADORA2BMAPK1MAP2K4MAPKAPK3
SCHEMBL1145076 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31504557 0.82 MAP2K4 (0.57) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL23559721 0.81 MAP2K4 (0.58) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4403122 0.78 MAPK1 (0.43) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL4137054 0.78 MAPK1 (0.43) ADORA2AADORA2BMAPK1MAP2K4MAPKAPK3
SCHEMBL1501529 0.78 KDM4E (0.55) MAP2K4
SCHEMBL14129804 0.78 KDM4E (0.45) ADORA2AADORA2BMAPK1MAP2K4MAPKAPK3
SCHEMBL4780688 0.77 JAK2 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6MAPKAPK2
SCHEMBL23062796 0.77 MAP2K4 (0.53) ADORA2AADORA2BMAPK1MAP2K4MAPKAPK3

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