SCHEMBL8125293

SCHEMBL8125293

CSc1cc(N)nc(SCc2nccnc2C)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
DCK P27707 10/20 0.41
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6642080 0.82 RAB9A (0.43) RAB9ADCKNPC1SMN1; SMN2MEN1
SCHEMBL8184641 0.77 RAB9A (0.44) RAB9ADCKNPC1SMN1; SMN2MEN1
SCHEMBL8140494 0.74 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8132161 0.74 RAB9A (0.41) RAB9ADCKNPC1SMN1; SMN2MEN1
SCHEMBL8133558 0.74 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL8134849 0.73 CYP1A2 (0.55) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL8180330 0.73 RAB9A (0.38) RAB9ADCKNPC1SMN1; SMN2MEN1
SCHEMBL8138707 0.72 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8134625 0.71 MEN1 (0.55) RAB9ADCKNPC1SMN1; SMN2MEN1
SCHEMBL8132673 0.71 RAB9A (0.48) RAB9ADCKNPC1SMN1; SMN2MEN1

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-6124306-A Thioalkyl alpha substituted pyrimidine compounds PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US disclosed
EP-1034167-A1 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-13 EP disclosed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO disclosed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO disclosed