SCHEMBL9645705

SCHEMBL9645705

O=C1NC=CN(c2ccccn2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
CRBN Q96SW2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL7604149 0.73 CRBN (0.50) ALOX5CRBNSMN1; SMN2GAAMAPK1
SCHEMBL6687892 0.72 EP300 (0.44) ALOX5CRBNSMN1; SMN2GAAMAPK1
SCHEMBL9645791 0.68 ALOX5 (0.42) ALOX5CRBNSMN1; SMN2ALDH1A1POLB
SCHEMBL9645252 0.65 RAB9A (0.48) CRBNSMN1; SMN2MAPK1KAT2BKDM4E
SCHEMBL28379997 0.64 SMN1; SMN2 (0.55) ALOX5CRBNSMN1; SMN2GAAMAPK1
SCHEMBL9645440 0.63 ALOX5 (1.00) ALOX5PLD1
SCHEMBL9645333 0.63 ALOX5 (0.45) ALOX5SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL15785562 0.63 PLD1 (0.49) ALOX5CRBNSMN1; SMN2GAAMAPK1
SCHEMBL694941 0.63 CRBN (0.42) ALOX5CRBNSMN1; SMN2GAAMAPK1
SCHEMBL8916862 0.63 PLD1 (0.41) ALOX5CRBNSMN1; SMN2GAAMAPK1

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-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US claimed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP claimed
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed