SCHEMBL19297756

SCHEMBL19297756

Cc1nc2ccc(Nc3ncc(F)c(Nc4ccc5c(c4)NC(=O)C(C)S5(=O)=O)n3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.46
SYK P43405 12/20 0.43
AURKA O14965 6/20 0.40
JAK3 P52333 3/20 0.39
JAK1 P23458 2/20 0.39
JAK2 O60674 3/20 0.38
LCK P06239 2/20 0.38
LYN P07948 2/20 0.38
CDK2 P24941 2/20 0.38
PLK4 O00444 1/20 0.38
PDPK1 O15530 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
FYN P06241 1/20 0.38
FES P07332 1/20 0.38
CSF1R P07333 1/20 0.38
IGF1R P08069 1/20 0.38
ROS1 P08922 1/20 0.38

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
SCHEMBL19297712 0.87 AURKA (0.50) CDK1SYKAURKAJAK3JAK2
SCHEMBL19297735 0.85 SYK (0.55) CDK1SYKFGFR1EGFR
SCHEMBL19297714 0.83 CDK1 (0.40) CDK1SYKAURKAJAK3JAK1
SCHEMBL19297758 0.82 SYK (0.60) SYKAURKAMAPK8AURKB
SCHEMBL19297760 0.82 EGFR (0.45) SYKAURKAPTK2BTKITK
SCHEMBL19297730 0.81 SYK (0.43) CDK1SYKAURKAJAK3JAK1
SCHEMBL19297724 0.81 SYK (0.53) CDK1SYKAURKAJAK3JAK1
SCHEMBL19297745 0.80 BCL6 (0.56) SYKAURKAPTK2ITKSTK17A
SCHEMBL3955918 0.79 BCL6 (0.47) CDK1SYKAURKAJAK2LCK
SCHEMBL1135756 0.77 CDK1 (0.51) CDK1SYKAURKAJAK3JAK1

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
US-9751893-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2017-09-05 US claimed