SCHEMBL901867

SCHEMBL901867

O=C(Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4C(=O)O)c2)c1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.53
SYK P43405 10/20 0.46
IDH2 P48735 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
BRAF P15056 1/20 0.40

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
SCHEMBL901253 0.90 KARS1 (0.65) KARS1MAPK8MAPK10
SCHEMBL1704640 0.88 KARS1 (0.56) KARS1SYKIDH2MEN1TSHR
SCHEMBL1704871 0.88 KARS1 (0.44) KARS1SYKIDH2
SCHEMBL901977 0.83 KARS1 (0.65) KARS1SYKIDH2MAPK8MAPK10
SCHEMBL1704085 0.83 SYK (0.49) KARS1SYK
SCHEMBL1705099 0.82 KARS1 (0.47) KARS1SYKIDH2
SCHEMBL1704896 0.82 KARS1 (0.60) KARS1MAPK8MAPK10
SCHEMBL902653 0.81 KARS1 (0.80) KARS1SYKBRAF
SCHEMBL1704569 0.80 SYK (0.46) KARS1SYK
SCHEMBL1704571 0.80 SYK (0.46) KARS1SYK

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