SCHEMBL7230951

SCHEMBL7230951

CCOC(=O)/C=C/c1cnn(-c2cc(N(C)C)nc(N)n2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
DPP4 P27487 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
MAPT P10636 1/20 0.34
CNKSR1 Q969H4 1/20 0.33
TTR P02766 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL7230955 1.00 CCNC (0.38) CCNCCDK8DPP4NPC1RAB9A
SCHEMBL7174672 0.85 LMNA (0.39) CCNCCDK8DPP4NPC1RAB9A
SCHEMBL7174676 0.85 LMNA (0.39) CCNCCDK8DPP4NPC1RAB9A
SCHEMBL7167088 0.81 NUDT1 (0.33)
SCHEMBL7229512 0.79 NUDT1 (0.34) TSHR
SCHEMBL7229521 0.79 NUDT1 (0.34) TSHR
SCHEMBL7173974 0.78 NUDT1 (0.33) TSHR
SCHEMBL7241080 0.76 HRH4 (0.49) MEN1KMT2AMAPT
SCHEMBL7241076 0.76 HRH4 (0.49) MEN1KMT2AMAPT
SCHEMBL7168418 0.76 CCNC (0.38) CCNCCDK8DPP4NPC1RAB9A

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-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed