SCHEMBL19297743

SCHEMBL19297743

CC1(C)Sc2ccc(Nc3nc(Nc4cccc(O)c4)ncc3F)cc2NC1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.63
AURKA O14965 3/20 0.53
MAPK8 P45983 1/20 0.52
AURKB Q96GD4 1/20 0.52
CDK19 Q9BWU1 1/20 0.52

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
SCHEMBL19297752 0.87 AURKA (0.53) SYKAURKA
SCHEMBL19297729 0.84 SYK (0.62) SYKAURKAMAPK8AURKBCDK19
SCHEMBL27631763 0.84 SYK (0.62) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297732 0.83 SYK (0.55) SYKAURKAMAPK8AURKB
SCHEMBL19297717 0.83 SYK (0.69) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297726 0.83 EGFR (0.48) SYKAURKAMAPK8AURKB
SCHEMBL658794 0.83 SYK (0.71) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297715 0.83 SYK (0.62) SYKAURKAMAPK8AURKBCDK19
SCHEMBL12389639 0.83 SYK (0.58) SYK
SCHEMBL1381667 0.82 SYK (0.51) SYKAURKAMAPK8AURKB

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