SCHEMBL9837539

SCHEMBL9837539

Cn1nc(-c2ccccc2)c(C2CCCCC2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAT2A P31153 3/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 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
SCHEMBL14836522 0.81 PARP1 (0.41) PARP1HPGDMAPTMEN1KMT2A
SCHEMBL20074826 0.78 MAPK14 (0.54) ALDH1A1HTTKDRLMNASMN1; SMN2
SCHEMBL18073882 0.73 PKM (0.37) HPGDMAPTMEN1KMT2ARAB9A
SCHEMBL33804 0.72 MAPT (0.55) HPGDMAPTMEN1KMT2ARAB9A
SCHEMBL25434020 0.71 TNK2 (0.37) MAPTRAB9AHTTKDRNPC1
SCHEMBL25431774 0.71 PDE7A (0.35) HRH2HRH3ADORA2A
SCHEMBL19926278 0.71 MAPT (0.68) HPGDMAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6259439 0.71 MAPT (0.53) HPGDMAPTMEN1KMT2ARAB9A
SCHEMBL4214390 0.71 MAPT (0.58) HPGDMAPTMEN1KMT2ARAB9A
SCHEMBL19941724 0.70 ALDH1A1 (0.44) HPGDMAPTRAB9ANPSR1ALDH1A1

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-0104522-B1 NEW PYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PROCESS FOR PRODUCING THEM GRUPPO LEPETIT S.p.A. (IT) 1991-05-29 EP disclosed
US-4612318-A CNS-depressant and analgesic tricyclo-[pyrazolo-[3,4-6]-pyridine] derivatives and pharmaceutical compositions thereof GRUPPO LEPETIT S.P.A. (IT) 1986-09-16 US disclosed
EP-0104522-A2 New pyrazolo(3,4-b)pyridine derivatives and process for producing them GRUPPO LEPETIT S.p.A. (IT) 1984-04-04 EP disclosed