SCHEMBL3392004

SCHEMBL3392004

O=Nc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
IDO1 P14902 1/20 0.37
TGFBR1 P36897 15/20 0.37
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
PRKD3 O94806 1/20 0.35
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
ACP1 P24666 1/20 0.34
ACVRL1 P37023 4/20 0.34
ACVR1B P36896 3/20 0.34

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
SCHEMBL3390252 0.86 TGFBR1 (0.40) PIM1PIM2FLT3PIM3IDO1
SCHEMBL3392992 0.85 TGFBR1 (0.39) PIM1PIM2FLT3PIM3IDO1
Hydrochloric Acid SCHEMBL14877110 0.84 TGFBR1 (0.39) PIM1PIM2FLT3PIM3IDO1
SCHEMBL3385827 0.82 POLB (0.41) PIM1PIM2FLT3PIM3IDO1
SCHEMBL3390023 0.82 TGFBR1 (0.40) PIM1PIM2FLT3PIM3IDO1
SCHEMBL244421 0.82 KDR (0.47) PIM1PIM2FLT3PIM3IDO1
SCHEMBL3383905 0.82 TGFBR1 (0.41) PIM1PIM2FLT3PIM3IDO1
SCHEMBL12440185 0.81 TGFBR1 (0.41) PIM1PIM2FLT3PIM3IDO1
SCHEMBL247224 0.81 TBK1 (0.46) PIM1PIM2FLT3PIM3IDO1
SCHEMBL21756156 0.81 TGFBR1 (0.39) PIM1PIM2FLT3PIM3IDO1

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-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed