SCHEMBL6980508

SCHEMBL6980508

Nc1nc(N)nc(-c2ccc(-c3cnco3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.55
LMNA P02545 2/20 0.55
NOTUM Q6P988 1/20 0.55
GAA P10253 1/20 0.55
PTK2 Q05397 1/20 0.53
KEAP1 Q14145 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAP4K4 O95819 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
LTA4H P09960 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
IMPDH2 P12268 1/20 0.44

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
SCHEMBL10768177 0.80 PKM (0.78) PKMLMNANOTUMGAAPTK2
SCHEMBL1160951 0.79 PKM (0.64) PKMLMNANOTUMGAAPTK2
SCHEMBL28880529 0.76 RAB9A (0.76) GAANPC1RAB9APOLBADORA3
SCHEMBL4471892 0.73 DHFR (0.49) PKMLMNANOTUMGAAPTK2
SCHEMBL29430426 0.73 DHFR (0.49) PKMLMNANOTUMGAAPTK2
SCHEMBL6980898 0.73 TAAR1 (0.60) PKMLMNANPC1RAB9APOLB
SCHEMBL16159857 0.72 CYP11B1 (0.73) PKMLMNANOTUMGAAPTK2
SCHEMBL1010203 0.71 MYC (0.62) PKMLMNANOTUMGAAPTK2
SCHEMBL28861621 0.71 LMNA (0.46) PKMLMNANOTUMGAAPTK2
SCHEMBL15013310 0.71 LMNA (0.64) PKMLMNANOTUMGAAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP claimed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US claimed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US claimed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP claimed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed