SCHEMBL19297752

SCHEMBL19297752

Cc1cc(C)cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(C)(C)S4)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.53
SYK P43405 13/20 0.50
CDK1 P06493 1/20 0.47
EGFR P00533 2/20 0.44
JAK2 O60674 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
FGFR4 P22455 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
SCHEMBL19297732 0.89 SYK (0.55) AURKASYKCDK1EGFRJAK2
SCHEMBL14837242 0.87 SYK (0.56) AURKASYKCDK1EGFRJAK2
SCHEMBL19297726 0.87 EGFR (0.48) AURKASYKCDK1EGFRJAK2
SCHEMBL19297743 0.87 SYK (0.63) AURKASYK
SCHEMBL1135756 0.86 CDK1 (0.51) AURKASYKCDK1EGFRJAK2
SCHEMBL12389639 0.86 SYK (0.58) SYKCDK1EGFR
SCHEMBL12389645 0.84 SYK (0.62) AURKASYKCDK1EGFRJAK2
SCHEMBL19297748 0.84 BCL6 (0.58) AURKASYKEGFR
SCHEMBL1381667 0.83 SYK (0.51) AURKASYKCDK1EGFRJAK2
SCHEMBL19297747 0.83 AURKA (0.52) AURKASYKCDK1EGFR

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