SCHEMBL7019700

SCHEMBL7019700

CSc1nccc(-n2cnc3cc(NC(=O)OC(C)(C)C)ccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
LCK P06239 1/20 0.41
ADRA2B P18089 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
ATM Q13315 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL7549868 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LCKADRA2B
SCHEMBL7555673 0.85 MAPT (0.39) NPC1RAB9ASMN1; SMN2LCKADRA2B
SCHEMBL7021521 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LCKADRA2B
SCHEMBL7552289 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LCKADRA2B
SCHEMBL7553642 0.80 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2LCKADRA2B
SCHEMBL7027073 0.76 FGFR1 (0.54) LCKLMNAHPGDALDH1A1HSD17B10
SCHEMBL7020638 0.75 MKNK2 (0.52) NPC1RAB9ASMN1; SMN2LCKTP53
SCHEMBL7590572 0.74 LCK (0.52) LCKALDH1A1TP53MKNK1MKNK2
SCHEMBL7020292 0.74 LCK (0.51) LCKMKNK1MKNK2
SCHEMBL7589687 0.73 LCK (0.68) NPC1RAB9ALCKMKNK1MKNK2

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
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed