SCHEMBL5263350

SCHEMBL5263350

O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 9/20 0.64
CDK8 P49336 9/20 0.64
RIPK1 Q13546 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KDM4A O75164 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HTR2C P28335 3/20 0.41
PLAUR Q03405 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL5267766 0.89 CCNC (0.61) CCNCCDK8PIM1HTR2C
SCHEMBL4580362 0.87 CCNC (0.49) CCNCCDK8SMN1; SMN2
SCHEMBL4580344 0.86 CCNC (0.50) CCNCCDK8HTR2C
SCHEMBL15742914 0.82 CCNC (0.72) CCNCCDK8SMN1; SMN2
SCHEMBL4580445 0.81 PRKAA2 (0.52) CCNCCDK8SMN1; SMN2
SCHEMBL4581298 0.80 ALDH1A1 (0.46) CCNCCDK8
SCHEMBL4580301 0.80 CCNC (0.56) CCNCCDK8PIM1
SCHEMBL4580434 0.80 CCNC (0.71) CCNCCDK8
SCHEMBL4578993 0.79 CCNC (0.54) CCNCCDK8
SCHEMBL4580748 0.78 CCNC (0.45) CCNCCDK8

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-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO disclosed