SCHEMBL6987180

SCHEMBL6987180

Nc1nc(N)nc(N2CCC3(CC2)OCCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
LGMN Q99538 1/20 0.40
HRH4 Q9H3N8 7/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR2 P21452 1/20 0.36
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
PIK3R1 P27986 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
SCHEMBL4557879 0.79 PKM (0.36) PTPN11LGMNHRH4PKMTACR2
SCHEMBL4557553 0.78 TACR2 (0.40) PTPN11LGMNALDH1A1MAPTSMN1; SMN2
SCHEMBL5387983 0.76 PTPN11 (0.37) PTPN11LGMNALDH1A1MAPTSMN1; SMN2
SCHEMBL9948445 0.75 KMT2A (0.50) HRH4ALDH1A1MAPTSMN1; SMN2
SCHEMBL9086580 0.75 TACR2 (0.44) PTPN11LGMNALDH1A1MAPTSMN1; SMN2
SCHEMBL10453209 0.75 HRH4 (0.59) HRH4
SCHEMBL128037 0.75 HRH4 (0.59) HRH4
SCHEMBL1396153 0.74 PKM (0.58) PKMALDH1A1MAPTSMN1; SMN2PIK3CA
SCHEMBL23593463 0.74 PTPN11 (0.48) PTPN11LGMNALDH1A1MAPTSMN1; SMN2
SCHEMBL10609657 0.72 CYP3A4 (0.51) PTPN11ALDH1A1MAPTSMN1; SMN2

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-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