SCHEMBL14528759

SCHEMBL14528759

CBc1cnn2c(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3)cc(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CDK2 P24941 4/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ SFRP1 Q8N474 1/20 0.39

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
SCHEMBL13309059 0.88 IKBKB (0.44) IKBKBKDM4ENPC1MAPTMAPK1
SCHEMBL11931067 0.88 GSK3B (0.53) IKBKBKDM4ENPC1MAPTMAPK1
SCHEMBL14528803 0.85 KMT2A (0.39) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL13309116 0.85 ALDH1A1 (0.49) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL11931064 0.84 GSK3B (0.55) IKBKBKDM4ENPSR1CDK2CDK1
SCHEMBL13309125 0.83 GSK3B (0.48) IKBKBKDM4ENPC1MAPTMAPK1
SCHEMBL13309241 0.81 GSK3B (0.46) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL13309052 0.81 KDM4E (0.43) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL13309461 0.80 KDM4E (0.44) KDM4ENPC1MAPTMAPK1RAB9A
SCHEMBL13308747 0.80 KDM4E (0.44) KDM4ENPC1MAPTMAPK1RAB9A

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
EP-1534712-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-05-16 — — EP disclosed
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