SCHEMBL19297732

SCHEMBL19297732

COc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)S4)n2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.55
AURKA O14965 7/20 0.53
JAK2 O60674 3/20 0.47
EGFR P00533 3/20 0.47
LCK P06239 2/20 0.47
LYN P07948 2/20 0.47
FGFR4 P22455 2/20 0.47
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
CDK1 P06493 2/20 0.44
BMPR1B O00238 1/20 0.44
CDC7 O00311 1/20 0.44
PIK3CD O00329 1/20 0.44
PLK4 O00444 1/20 0.44
STK25 O00506 1/20 0.44
CIT O14578 1/20 0.44
RIOK3 O14730 1/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
GAK O14976 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
SCHEMBL14837242 0.89 SYK (0.56) SYKAURKAJAK2EGFRLCK
SCHEMBL19297726 0.89 EGFR (0.48) SYKAURKAJAK2EGFRLCK
SCHEMBL19297752 0.89 AURKA (0.53) SYKAURKAJAK2EGFRLCK
SCHEMBL19297748 0.86 BCL6 (0.58) SYKAURKAEGFRSTK17BPTK2
SCHEMBL1381667 0.85 SYK (0.51) SYKAURKAJAK2EGFRLCK
SCHEMBL19297721 0.84 SYK (0.55) SYKAURKAJAK2EGFRLCK
SCHEMBL19297722 0.84 SYK (0.57) SYKAURKAJAK2EGFRJAK1
SCHEMBL19297743 0.83 SYK (0.63) SYKAURKAMAPK8AURKB
SCHEMBL2103278 0.83 SYK (0.69) SYKAURKAJAK2EGFRLCK
SCHEMBL12389639 0.83 SYK (0.58) SYKEGFRCDK1CDC7PDGFRB

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