Sugi Predict

Sugi Predict / Compounds / SCHEMBL19686350

SCHEMBL19686350

SCHEMBL19686350

Cc1csc(-c2cc(N3CCOCC3)nc(NC3CCC(F)(F)C(Cc4cc(C)nn4-c4cc(-n5nc(C)cc5C)nc(NC5CCC(F)(F)CC5)n4)C3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ADORA2A P29274 4/20 0.33
▸ ADORA1 P30542 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ IDH1 O75874 5/20 0.32
▸ IDH2 P48735 1/20 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
SCHEMBL19686356 0.83 RAF1 (0.44) RAF1HTTIDH1IDH2
SCHEMBL31127386 0.83 RAF1 (0.44) RAF1HTTIDH1IDH2
SCHEMBL19687333 0.80 SMN1; SMN2 (0.53) RAF1SMN1; SMN2ADORA2AADORA1ALDH1A1
SCHEMBL31127260 0.74 IDH1 (0.46) RAF1IDH1IDH2
SCHEMBL19687332 0.74 IDH1 (0.46) RAF1IDH1IDH2
SCHEMBL19686354 0.73 IDH1 (0.42) RAF1IDH1IDH2
SCHEMBL31127160 0.73 IDH1 (0.42) RAF1IDH1IDH2
SCHEMBL19686450 0.72 SMN1; SMN2 (0.50) RAF1SMN1; SMN2ADORA2AADORA1ALDH1A1
SCHEMBL19686365 0.72 IDH1 (0.48) SMN1; SMN2IDH1IDH2
SCHEMBL19686373 0.71 SMN1; SMN2 (0.55) SMN1; SMN2ADORA2AADORA1ALDH1A1HTT

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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 — — WO disclosed