SCHEMBL474870

SCHEMBL474870

Cn1ncc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc([C]=O)cc4)c23)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
CHEK1 O14757 1/20 0.32
ACHE P22303 1/20 0.32
KDM1A O60341 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
SCHEMBL11908044 0.86 PIM1 (0.37) PIM1PIM3PIM2PRMT5WDR77
SCHEMBL474985 0.82 CHEK1 (0.46) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL473806 0.80 CYP2D6 (0.40) PIM1PIM3PIM2CHEK1
SCHEMBL473750 0.79 PIM1 (0.40) PIM1PIM3PIM2
SCHEMBL474337 0.77 PIM1 (0.45) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL1560913 0.73 PIM1 (0.41) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL11907789 0.70 CHEK1 (0.47) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL11908677 0.69 CHEK1 (0.47) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL473714 0.68 MKNK1 (0.46) PIM1PIM3PIM2CHEK1ACHE
SCHEMBL1560881 0.67 CHEK1 (0.44) PIM1PIM3PIM2CHEK1ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed