SCHEMBL6882453

SCHEMBL6882453

Fc1ccc(Nc2ncc3cc[nH]c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
SYK P43405 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
CDC7 O00311 2/20 0.45
CDK1 P06493 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL15380926 0.83 CDK2 (0.54) AURKANPC1RAB9AMAPK1MAPT
SCHEMBL25016924 0.79 RPS6KA3 (0.47) AURKASYKULK1
SCHEMBL14287382 0.78 AURKA (0.44) AURKARAB9AMAPK1MEN1MAPT
SCHEMBL17604427 0.78 SYK (0.58) NPC1RAB9AMAPTKMT2ASYK
SCHEMBL3429733 0.77 SYK (0.59) AURKANPC1RAB9AMAPTKMT2A
SCHEMBL878920 0.75 ULK1 (0.52) AURKANPC1RAB9AMAPK1CDC7
SCHEMBL29277198 0.75 SYK (0.60) AURKAMAPK1MAPTSYKCDK4
SCHEMBL29813554 0.74 EGFR (0.62) AURKACDK4CCND1CCND2CCND3
SCHEMBL17065188 0.73 MAPK1 (0.51) NPC1RAB9AMAPK1MEN1LMNA
SCHEMBL12127741 0.73 APP (0.56) NPC1RAB9AMAPK1MEN1LMNA

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-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed