SCHEMBL7313548

SCHEMBL7313548

Cc1cn(-c2ccc(N)c(C)c2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
APP P05067 1/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MCL1 Q07820 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL10460756 0.83 KDM4E (0.43) RAD52KDM4EMAPTGAATHRB
SCHEMBL22418957 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1TSHRAPP
SCHEMBL7309063 0.80 HPGD (0.39) NR3C1NR3C2HPGDSMN1; SMN2HSD11B1
SCHEMBL10901975 0.78 NR3C1 (0.39) KDM4EMAPTGAAALDH1A1NR3C1
SCHEMBL30242191 0.78 ALDH1A1 (0.46) MAPTGAATHRBALDH1A1CYP3A4
SCHEMBL28980278 0.78 ALDH1A1 (0.46) MAPTGAATHRBALDH1A1CYP3A4
SCHEMBL17580580 0.77 TLR8 (0.35) NR3C1NR3C2MCL1HSD11B1
SCHEMBL10680998 0.77 TUBB4A (0.33) KDM4ETSHRNR3C1NR3C2MEN1
SCHEMBL25092810 0.76 TSHR (0.37) KDM4EMAPTALDH1A1CYP3A4TSHR
SCHEMBL30242192 0.76 ALDH1A1 (0.49) KDM4EMAPTALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900839-A SUBSTITUTED PHENYLPROPENAMIDES PFIZER INC. (US) 1990-02-13 US disclosed
US-4837334-A Precursors to quinolone inotropic agents PFIZER INC. (US) 1989-06-06 US disclosed
US-4783467-A Tetrahydroimidazoquinazolinone inotropic agents PFIZER INC. (US) 1988-11-08 US disclosed
US-4740513-A CARDIAC STIMULANTS PFIZER INC. (US) 1988-04-26 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0226357-A1 Quinolone cardiac stimulants Pfizer Limited (GB) 1987-06-24 EP disclosed
EP-0205280-A2 Tetrahydroimidazoquinazolinone cardiac stimulants Pfizer Limited (GB) 1986-12-17 EP disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed