SCHEMBL7829368

SCHEMBL7829368

CCCCCCc1cc(N)nnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 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
SCHEMBL1268684 0.93 GABRP (0.44) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL7829823 0.85 NOS2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7832727 0.82 ALOX5 (0.40) TLR8GABRA2GABRB2MEN1TP53
SCHEMBL5567705 0.80 TDP1 (0.38) TLR8GABRA2GABRB2MEN1TP53
SCHEMBL1268563 0.74 TDP1 (0.39) TLR8GABRPGABRDGABRA1GABRB1
SCHEMBL197804 0.70 ALOX5 (0.39) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL27334983 0.70 LIPG (0.40) ALDH1A1MEN1TP53CYP3A4ALOX5
SCHEMBL2877727 0.70 TLR8 (0.47) TLR8
SCHEMBL7831257 0.69 NOS2 (0.38) GABRA1GABRB2TDP1
SCHEMBL14681822 0.69 ALOX5 (0.47) TLR8MEN1TP53CYP3A4ALOX5

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
EP-0781283-B1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-06 EP disclosed
CN-1158130-A Triazolopyridazines, their preparation and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-27 CN disclosed
EP-0781283-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008496-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed