SCHEMBL8081075

SCHEMBL8081075

CCCc1nc(-n2ccnc2)nc(-n2ccnc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.40
MAPK1 P28482 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 4/20 0.37
CYP19A1 P11511 1/20 0.35

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
SCHEMBL8083071 0.78 MAPT (0.40) TSHRLMNANPSR1KMT2AUSP2
SCHEMBL8081073 0.74 TSHR (0.43) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL9025866 0.68 LMNA (0.67) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7346517 0.68 TSHR (0.39) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8536251 0.67 TSHR (0.59) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8535859 0.67 TSHR (0.55) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL11818792 0.66 LMNA (0.46) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8078203 0.65 GRIA1 (0.44) PDE5ACD38
SCHEMBL8538423 0.65 TSHR (0.52) TSHRMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8535868 0.65 TSHR (0.49) TSHRMAPK1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025489-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed
EP-0429149-A1 Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. (US) 1991-05-29 EP disclosed