SCHEMBL27612499

SCHEMBL27612499

CNC(=O)N1c2cc(Nc3nc(Nc4ccc(OC(C)C)cc4)ncc3F)ccc2CN1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.59
EGFR P00533 6/20 0.49
ITK Q08881 3/20 0.49
CDK2 P24941 3/20 0.46
CCNT1 O60563 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK9 P50750 2/20 0.46
BRD4 O60885 2/20 0.46
AURKA O14965 2/20 0.45
PLK4 O00444 1/20 0.44
PDPK1 O15530 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 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
SCHEMBL27631825 0.93 SYK (0.59) SYKEGFRITKCDK2CCNT1
SCHEMBL28753647 0.91 SYK (0.60) SYKEGFRITKCDK2CCNT1
SCHEMBL27612739 0.84 SYK (0.60) SYKEGFRITKCDK2CCNT1
SCHEMBL27631878 0.84 SYK (0.60) SYKEGFRITKCDK2CCNT1
SCHEMBL655497 0.80 SYK (0.59) SYKEGFRITKCDK2CCNT1
SCHEMBL656426 0.79 SYK (0.61) SYKEGFRITKCDK2AURKA
SCHEMBL657309 0.77 SYK (0.69) SYKEGFRITKCDK2AURKA
SCHEMBL655466 0.77 SYK (1.00) SYKITKCDK2AURKAPLK4
SCHEMBL657833 0.76 SYK (0.58) SYKEGFRITKAURKAJAK2
SCHEMBL28757133 0.76 SYK (0.58) SYKEGFRITKAURKAJAK2

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed