SCHEMBL902886

SCHEMBL902886

CC(C)(C)N(CCNc1cc(-c2cccc(N)n2)ccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.44
ATR Q13535 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.40
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
MTOR P42345 2/20 0.38
SMG1 Q96Q15 2/20 0.38
LARS1 Q9P2J5 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAP4K4 O95819 1/20 0.38
IDH1 O75874 1/20 0.37
NPC1 O15118 1/20 0.37
CCNT1 O60563 1/20 0.37
MAPT P10636 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
XBP1 P17861 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 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
SCHEMBL1704681 0.82 KARS1 (0.52) KARS1CDK1CDK2MTORSMG1
SCHEMBL1704727 0.82 KARS1 (0.54) KARS1
SCHEMBL1704255 0.81 KARS1 (0.52) KARS1BRAF
SCHEMBL901406 0.80 KARS1 (0.50) KARS1IRAK4CDK1CDK2MTOR
SCHEMBL902454 0.77 ASIC3 (0.42) KARS1LARS1IDH1HTT
SCHEMBL20974132 0.75 KDM4D (0.40) MAP4K4NPC1MAPTRAB9AHRH4
SCHEMBL15912936 0.70 HRH3 (0.42) MAPK1HRH4
SCHEMBL902758 0.69 KARS1 (0.64) KARS1MAP4K4NPC1MAPTHTT
SCHEMBL1119549 0.68 HRH3 (0.35) ATRMAPTMAPK1HRH4
SCHEMBL1704492 0.68 KARS1 (0.51) KARS1

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