SCHEMBL19297729

SCHEMBL19297729

CC1Sc2ccc(Nc3nc(Nc4cccc(O)c4)ncc3F)cc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.62
AURKA O14965 3/20 0.53
MAPK8 P45983 1/20 0.53
AURKB Q96GD4 1/20 0.53
CDK19 Q9BWU1 1/20 0.53

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
SCHEMBL27631763 1.00 SYK (0.62) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297747 0.87 AURKA (0.52) SYKAURKA
SCHEMBL19297743 0.84 SYK (0.63) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297744 0.84 SYK (0.47) SYKAURKA
SCHEMBL19297721 0.84 SYK (0.55) SYKAURKA
SCHEMBL12389631 0.83 SYK (0.57) SYKAURKA
SCHEMBL12440229 0.83 SYK (0.55) SYK
SCHEMBL19297717 0.83 SYK (0.69) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297758 0.82 SYK (0.60) SYKAURKAMAPK8AURKBCDK19
SCHEMBL19297727 0.82 SYK (0.54) 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