SCHEMBL2819012

SCHEMBL2819012

COc1ccc(Nc2cncc(-c3cccc(C(=O)c4ccccc4Cl)c3N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
XDH P47989 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BRAF P15056 2/20 0.43
LMNA P02545 1/20 0.42
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MT-CO2 P00403 1/20 0.41
TOP1 P11387 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2820201 0.88 XDH (0.47) MAPK13MAPK12MAPK11MAPK14XDH
SCHEMBL2822421 0.85 XDH (0.50) XDHSLC22A12KMT2ABRAFLMNA
SCHEMBL2824946 0.85 XDH (0.48) XDHSLC22A12KMT2AMAPTBRAF
SCHEMBL2818647 0.83 XDH (0.48) XDHSLC22A12KMT2ABRAFRAB9A
SCHEMBL2822721 0.83 XDH (0.52) XDHSLC22A12BRAFRAB9AALDH1A1
SCHEMBL2824998 0.83 XDH (0.48) XDHSLC22A12KMT2AMAPTTP53
SCHEMBL2819006 0.83 XDH (0.48) MAPK13MAPK12MAPK11MAPK14XDH
SCHEMBL2818742 0.79 SMO (0.58) XDHSLC22A12KMT2AMAPTTP53
SCHEMBL4198997 0.71 BRAF (0.72) XDHSLC22A12BRAFFYN
SCHEMBL4147232 0.70 XDH (0.59) XDHSLC22A12KMT2AMAPTBRAF

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-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP claimed