SCHEMBL30315329

SCHEMBL30315329

CC(C)n1cnc2c(NCCc3c[nH]c4ccccc34)nc(-c3csc4ccccc34)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.70
CCNE1 P24864 3/20 0.57
CDK2 P24941 3/20 0.57
CCNE2 O96020 1/20 0.57
NPC1 O15118 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
IP6K1 Q92551 1/20 0.40
RAB9A P51151 1/20 0.40
CDK5 Q00535 5/20 0.40
CDK5R1 Q15078 5/20 0.40
MAPT P10636 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
GBA1 P04062 1/20 0.40
GPR18 Q14330 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2359403 1.00 AHR (0.70) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL2318495 0.94 AHR (0.61) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL2359948 0.92 AHR (0.73) AHRCCNE1CDK2CCNE2IP6K1
SCHEMBL3500316 0.92 AHR (0.64) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL21016755 0.89 AHR (0.58) AHRCCNE1CDK2CCNE2SSTR1
SCHEMBL2314090 0.87 AHR (0.79) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL15011335 0.85 AHR (0.87) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL2313738 0.84 AHR (0.71) AHRCCNE1CDK2CCNE2NPC1
SCHEMBL21240855 0.83 AHR (0.54) AHRCCNE1CDK2CCNE2CDK9
SCHEMBL19766270 0.83 AHR (0.85) AHRCCNE1CDK2CCNE2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524604-B1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2023-03-29 EP disclosed