SCHEMBL6772756

SCHEMBL6772756

Nc1nccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
KMT2A Q03164 1/20 0.56
BRD4 O60885 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
ALOX15 P16050 2/20 0.55
PTK2 Q05397 1/20 0.54
PRKCI P41743 3/20 0.54
ATR Q13535 1/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL29837506 0.89 L3MBTL1 (0.66) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL28764679 0.89 L3MBTL1 (0.66) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL5205251 0.85 L3MBTL1 (0.57) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL18070988 0.85 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL29738591 0.84 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL29738593 0.84 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL3001084 0.84 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ABRD4
SCHEMBL3901503 0.83 GRM4 (0.60) GRM5L3MBTL1RAB9ANPC1KMT2A
SCHEMBL13923493 0.82 SMN1; SMN2 (0.61) GRM5L3MBTL1RAB9ANPC1KMT2A
SCHEMBL6769262 0.80 SMN1; SMN2 (0.63) L3MBTL1RAB9ANPC1KMT2ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed