Sugi Predict

Sugi Predict / Compounds / SCHEMBL376764

SCHEMBL376764

SCHEMBL376764

Cc1cn2c(-c3cncc(N[C@@H]4CNC[C@H]4C)n3)cnc2s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ PIM1 P11309 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ NRAS P01111 4/20 0.32
▸ CLK2 P49760 2/20 0.32
▸ CLK3 P49761 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32

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
SCHEMBL376763 1.00 FLT3 (0.35) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10239881 0.86 FLT3 (0.33) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL376822 0.83 IL1B (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10239855 0.83 IL1B (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10238370 0.83 IL1B (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL376409 0.83 IL1B (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10239835 0.82 FLT3 (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10239491 0.82 IRAK4 (0.30) IRAK4
SCHEMBL10239833 0.81 FLT3 (0.34) FLT3IRAK4PIM1PIM2PIM3
SCHEMBL10239478 0.81 FLT3 (0.33) FLT3IRAK4PIM1PIM2PIM3

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-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 — — EP disclosed