SCHEMBL16743600

SCHEMBL16743600

CC[C@@H](Nc1nnc(C(N)=O)c(Nc2ccc(OC)c(C(F)(F)F)c2)n1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.43
▸ ABCB1 P08183 2/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ABCC1 P33527 1/20 0.39
▸ P2RX3 P56373 2/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 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
SCHEMBL16743603 0.91 SYK (0.47) SYK
SCHEMBL16743224 0.87 SYK (0.49) SYKMAPK8MAPK9
SCHEMBL16743280 0.86 SYK (0.45) SYKPTK2
SCHEMBL16743376 0.84 SYK (0.45) SYKMAPK8MAPK9
SCHEMBL16743286 0.83 SYK (0.44) SYK
SCHEMBL16743326 0.81 SYK (0.53) SYK
SCHEMBL16743321 0.80 SYK (0.49) SYK
SCHEMBL16743366 0.79 SYK (0.47) SYK
SCHEMBL16743152 0.79 SYK (0.47) SYK
SCHEMBL16743307 0.78 SYK (0.51) SYK

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-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
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