SCHEMBL9314971

SCHEMBL9314971

CC(C)c1nn2ccccc2c1C=NNC(=O)CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
ALDH1A1 P00352 5/20 0.46
PDE5A O76074 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE3A Q14432 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
BLM P54132 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL3185488 0.83 PDE5A (0.50) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL3185480 0.83 PDE5A (0.50) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL9196644 0.83 EGFR (0.41) ALDH1A1NPSR1MEN1KMT2AADORA2A
SCHEMBL9314185 0.80 GRK2 (0.39) ALDH1A1NPSR1MEN1KMT2ACYP1A2
SCHEMBL3197550 0.72 PDE4B (0.53) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL3193018 0.72 PDE4B (0.53) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL3205161 0.72 PDE4B (0.53) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL4539033 0.71 MIF (0.45) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL4539031 0.71 MIF (0.45) MIFALDH1A1PDE5ANPSR1PDE4B
SCHEMBL3205869 0.71 PDE4B (0.56) MIFALDH1A1PDE5ANPSR1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296490-A Pharmaceutically useful pyrazolopyridines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 EP disclosed