SCHEMBL16404665

SCHEMBL16404665

CCn1nnc(-c2ccc(Nc3nccc(-c4cccc(N5CCCCCC5)c4)n3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.59
JAK2 O60674 8/20 0.55
MAPK8 P45983 5/20 0.52
MAPK10 P53779 5/20 0.52
ACVR1 Q04771 1/20 0.51
MAPK9 P45984 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
STK17A Q9UEE5 2/20 0.49
MYLK4 Q86YV6 1/20 0.45

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
SCHEMBL3753705 0.91 MAPK8 (0.64) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3753107 0.80 MAPK8 (0.61) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3753651 0.80 MAPK8 (0.75) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL16404656 0.80 CAMK2D (0.61) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL8053239 0.78 MAPK8 (0.57) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL16404663 0.77 CAMK2D (0.59) CAMK2DJAK2MAPK8MAPK10ACVR1
SCHEMBL3750806 0.77 MAPK8 (0.82) CAMK2DJAK2MAPK8MAPK10MAPK9
SCHEMBL3753582 0.76 MAPK8 (0.68) CAMK2DJAK2MAPK8MAPK10ACVR1
SCHEMBL3762775 0.75 MAPK8 (0.63) CAMK2DJAK2MAPK8MAPK10ACVR1
SCHEMBL3748805 0.72 JAK2 (0.66) CAMK2DJAK2MAPK8MAPK10MAPK9

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-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed