SCHEMBL1704065

SCHEMBL1704065

NCCc1cccc(-c2cc3ccccc3c(Nc3cc(C(F)(F)F)ccn3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.48
SYK P43405 5/20 0.45
IDH2 P48735 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
NR3C2 P08235 1/20 0.39
AURKA O14965 1/20 0.39
MAOB P27338 1/20 0.38
RIOK2 Q9BVS4 1/20 0.38
ROCK1 Q13464 1/20 0.38
CCNT1 O60563 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL902028 0.86 CA12 (0.45) SYKIDH2NR3C2AURKARIOK2
SCHEMBL1704561 0.82 KARS1 (0.55) KARS1SYKIDH2TAAR1
SCHEMBL1704715 0.82 IDH2 (0.40) SYKIDH2NR3C2AURKARIOK2
SCHEMBL1704403 0.82 KARS1 (0.47) KARS1SYKPRKCHPRKCEROCK1
SCHEMBL902073 0.82 KARS1 (0.71) KARS1SYKIDH2TAAR1NR3C2
SCHEMBL901984 0.73 IDH2 (0.42) KARS1SYKIDH2AURKARIOK2
SCHEMBL902820 0.72 KARS1 (0.74) KARS1SYKIDH2
SCHEMBL902026 0.71 TAAR1 (0.45) KARS1SYKTAAR1MAOBROCK1
SCHEMBL901986 0.69 SYK (0.50) KARS1SYKIDH2
SCHEMBL901883 0.67 AURKA (0.56) KARS1SYKIDH2NR3C2AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed