SCHEMBL7776751

SCHEMBL7776751

COC(=O)Nc1nc(N)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35
CGAS Q8N884 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2910688 0.84 LMNA (0.47) LMNACYP1A2SMN1; SMN2TSHRNPSR1
SCHEMBL10618588 0.81 CYP2C9 (0.40) LMNASMN1; SMN2NPSR1HTT
SCHEMBL3636157 0.81 POLB (0.34) LMNAPIK3CA
SCHEMBL7978560 0.79 NPSR1 (0.52) LMNASMN1; SMN2TSHRNPSR1HPGD
SCHEMBL2909014 0.79 RAB9A (0.46) LMNACYP1A2SMN1; SMN2TSHRNPSR1
SCHEMBL3298153 0.77 POLB (0.52) LMNACYP1A2RAB9AKDM4EALDH1A1
SCHEMBL7772250 0.75 RAB9A (0.49) LMNACYP1A2SMN1; SMN2TSHRHPGD
SCHEMBL7772254 0.75 TUBB4A (0.39) LMNACYP1A2SMN1; SMN2TSHRHPGD
SCHEMBL1677779 0.75 CYP1A2 (0.43) LMNACYP1A2SMN1; SMN2HPGDNPC1
SCHEMBL3025720 0.75 CYP1A2 (0.38) LMNACYP1A2TSHRNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129081-A1 PREPARATION OF TRIS-SUBSTITUTED ALKOXYCARBONYLAMINO-1,3,5-TRIAZINE COMPOUNDS CYTEC TECHNOLOGY CORP. (US) 2001-09-05 EP disclosed
US-6121446-A Preparation of tris-substituted alkoxycarbonylamino-1,3,5-triazine compounds CYTEC TECHNOLOGY CORPORATION 2000-09-19 US disclosed
WO-2000027829-A1 PREPARATION OF TRIS-SUBSTITUTED ALKOXYCARBONYLAMINO-1,3,5-TRIAZINE COMPOUNDS CYTEC TECHNOLOGY CORP. (US) 2000-05-18 WO disclosed