SCHEMBL6979697

SCHEMBL6979697

COc1cc(-c2ccc(=O)[nH]n2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
PDE4B Q07343 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
LMNA P02545 3/20 0.43
PDE3A Q14432 5/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
NTRK1 P04629 3/20 0.38
PDE3B Q13370 3/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL6989453 0.78 KMT2A (0.42) LMNAATMSMN1; SMN2TSHRNPC1
SCHEMBL6986812 0.75 ALDH1A1 (0.40) LMNAATMSMN1; SMN2TSHRNPC1
SCHEMBL6990765 0.73 PTGS2 (0.44) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL7370402 0.72 CYP1A2 (0.51) CYP1A2LMNAPDE3APOLBNTRK1
SCHEMBL6990503 0.71 TSHR (0.39) LMNAATMSMN1; SMN2TSHRMAPK1
SCHEMBL6983368 0.71 LMNA (0.38) CYP1A2LMNAATMPOLBGFER
SCHEMBL17111090 0.70 RAB9A (0.52) CYP1A2LMNASMN1; SMN2GFERNTRK1
SCHEMBL6985903 0.69 FGFR1 (0.37) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6987042 0.69 PDE10A (0.37) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL29364871 0.68 CYP1A2 (0.58) CYP1A2PDE4BPDE4APDE4CPDE4D

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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed