SCHEMBL7360433

SCHEMBL7360433

CCNc1cccc(-c2ccnc3c(C(=O)c4ccco4)cnn23)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.51
BRAF P15056 11/20 0.49
MAPK13 O15264 2/20 0.49
LIMK1 P53667 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
TLR8 Q9NR97 1/20 0.49
PIM1 P11309 1/20 0.47
MAPK9 P45984 1/20 0.46
DYRK1A Q13627 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
EPHA2 P29317 1/20 0.45
GSK3A P49840 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7398130 0.89 CDKN1A (0.56) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL7402900 0.88 CDKN1A (0.56) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL10731164 0.87 CDKN1A (0.56) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL7361513 0.85 MAPK13 (0.54) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5822226 0.85 CDKN1A (0.53) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5823329 0.85 CDKN1A (0.53) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5819815 0.85 CDKN1A (0.51) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5823702 0.84 CDKN1A (0.71) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5823340 0.84 CDKN1A (0.52) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5808836 0.83 BRAF (0.57) CDKN1ABRAFMAPK13LIMK1MARK2

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
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US claimed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP claimed