SCHEMBL4564496

SCHEMBL4564496

Clc1ccc(Nc2nnc(N(c3ccccc3)c3ccc4ncsc4c3)c3sccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TGFBR1 P36897 1/20 0.38
CSNK2B P67870 2/20 0.37
PRKD1 Q15139 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CSNK2A2 P19784 1/20 0.37
RIPK3 Q9Y572 2/20 0.37
RIPK2 O43353 1/20 0.37
CD38 P28907 1/20 0.35
KDM1A O60341 1/20 0.35
KDR P35968 3/20 0.35
RIPK1 Q13546 1/20 0.35
NPY5R Q15761 1/20 0.34
FADS1 O60427 1/20 0.34
FLT1 P17948 2/20 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
SCHEMBL2203187 0.80 NPC1 (0.46) CSNK2A1MEN1KMT2ANPC1RAB9A
SCHEMBL2197137 0.78 TGFBR1 (0.50) MEN1KMT2ANPC1RAB9ATGFBR1
SCHEMBL4039259 0.73 LRRK2 (0.47) TGFBR1PRKD1RIPK3RIPK2KDR
SCHEMBL2229449 0.71 TGFBR1 (0.56) TGFBR1PRKD1RIPK3RIPK2KDR
SCHEMBL12259280 0.69 LRRK2 (0.47) CSNK2A1TGFBR1PRKD1RIPK3RIPK2
SCHEMBL4035827 0.69 MEN1 (0.46) CSNK2A1MEN1KMT2ANPC1RAB9A
SCHEMBL2201532 0.68 KDR (0.47) MEN1KMT2ATGFBR1PRKD1RIPK3
SCHEMBL2200375 0.67 MAPT (0.50) TGFBR1PRKD1RIPK3RIPK2KDR
SCHEMBL4035715 0.67 IKBKB (0.44) MEN1KMT2ANPC1RAB9ATGFBR1
SCHEMBL2199804 0.66 CSNK2A1 (0.50) CSNK2A1MEN1KMT2ANPC1RAB9A

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-2010173-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION Bayer HealthCare AG (DE) 2009-01-07 EP disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed