SCHEMBL10700451

SCHEMBL10700451

c1ccc2c(c1)CNC2=NN=C1NCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
PARP1 P09874 2/20 0.41
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR5A P47898 2/20 0.37
PDPK1 O15530 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
METAP2 P50579 1/20 0.34
AURKA O14965 2/20 0.33
KDR P35968 2/20 0.33
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 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
SCHEMBL4127799 0.83 CA12 (0.50) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL1567419 0.83 CA12 (0.50) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL10920408 0.83 CA12 (0.50) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL11742049 0.78 PARP10 (0.57) CA12CA9PARP1PDPK1PARP10
SCHEMBL11742053 0.78 PARP10 (0.57) CA12CA9PARP1PDPK1PARP10
SCHEMBL11040034 0.74 CA12 (0.42) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL11216422 0.74 CA12 (0.42) CA12CA9PARP1ALOX15HSD17B10
SCHEMBL7755455 0.73 CA12 (0.41) CA12CA9PARP1HTR5AGAA
SCHEMBL4073991 0.72 L3MBTL1 (0.41) CA12CA9PARP1HTR5AGAA
SCHEMBL4073995 0.72 L3MBTL1 (0.41) CA12CA9PARP1HTR5AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296543-A2 Condensation products containing nitrogen based on modified or unmodified natural resins, method of making them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-28 EP disclosed
US-4367333-A PLASTICS CIBA-GEIGY CORPORATION (US) 1983-01-04 US disclosed
US-4366312-A Metal complexes of isoindolinazines, process for their preparation and use CIBA-GEIGY CORPORATION (US) 1982-12-28 US disclosed