SCHEMBL7361917

SCHEMBL7361917

O=C(c1ccc(F)cc1)c1cnn2c(-c3ccncc3)ccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
NPC1 O15118 3/20 0.62
MAPT P10636 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
MAP2K1 Q02750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
LTA4H P09960 1/20 0.47
PIM1 P11309 3/20 0.45
LIMK1 P53667 2/20 0.45
TLR8 Q9NR97 1/20 0.44
MAPK9 P45984 1/20 0.43
DYRK1A Q13627 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL5790981 0.88 CLK4 (0.64) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7362622 0.86 KDM4E (0.57) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7362685 0.85 ALDH1A1 (0.49) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7367609 0.83 MAP2K1 (0.55) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7362561 0.82 KDM4E (0.57) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7362738 0.81 CLK4 (0.73) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL7366580 0.81 MAP2K1 (0.55) KDM4EMAPTSMN1; SMN2ALDH1A1MAP2K1
SCHEMBL10939287 0.80 KDM4E (0.55) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7362641 0.80 TLR8 (0.52) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9868803 0.79 MAP2K1 (0.80) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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 4 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
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
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 disclosed