SCHEMBL6644471

SCHEMBL6644471

Nc1cc(Cl)nc(SCc2cccc3ncccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC7 O00311 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 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
SCHEMBL6638600 0.91 RAB9A (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6639259 0.84 NPC1 (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6642311 0.84 ALDH1A1 (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8133994 0.83 RAB9A (0.39) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL27496074 0.80 NR4A2 (0.39) KMT2AMEN1SMN1; SMN2CDC7DAPK3
SCHEMBL490191 0.78 KMT2A (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6641213 0.78 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6638320 0.78 MEN1 (0.51) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6639351 0.76 KMT2A (0.40) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6637294 0.76 CYP1A2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1535958-A Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound �������Ŷ���Լ��������˾ 2004-10-13 CN disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
CN-1152022-C Alpha-substituted pyrimidine-thioalkyl and alkylether compounds �������Ŷ���Լ��������˾ 2004-06-02 CN disclosed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP disclosed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed