SCHEMBL7361403

SCHEMBL7361403

O=Cc1cnn2c(-c3cccnc3)ccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CLK4 Q9HAZ1 2/20 0.45
MAP2K1 Q02750 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
HPGD P15428 1/20 0.44
HTR6 P50406 1/20 0.43
ERN1 O75460 2/20 0.43
CYP2A6 P11509 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRAF P15056 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CYP17A1 P05093 1/20 0.40

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
SCHEMBL11482468 0.87 CLK4 (0.58) SMN1; SMN2MAPTKDM4EALDH1A1CLK4
SCHEMBL7364847 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL4699130 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL3162758 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL11158624 0.78 MAPT (0.59) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL3160984 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL11162191 0.78 KDM4E (0.65) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL3172246 0.77 KDM4E (0.65) KDM4EBRAFCYP17A1
Hydrochloric Acid SCHEMBL11366478 0.77 KDM4E (0.64) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL11167079 0.76 MAP2K1 (0.59) SMN1; SMN2MAPTGAAKDM4EALDH1A1

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
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
EP-0025819-B1 SUBSTITUTED PYRAZOLO (1,5-A) PYRIMIDINES, AND THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-10-12 EP disclosed
US-4281000-A Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0025819-A1 Substituted pyrazolo (1,5-a) pyrimidines, and their preparation AMERICAN CYANAMID COMPANY (US) 1981-04-01 EP disclosed