SCHEMBL13770699

SCHEMBL13770699

O=C(Nc1cnc2c(n1)CCCC1=C2CNCC1)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CDK2 P24941 10/20 0.39
▸ CCNA2 P20248 9/20 0.39
▸ CDK1 P06493 6/20 0.39
▸ CCNB1 P14635 6/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ RORC P51449 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13770701 0.84 HTR1F (0.38) NPC1CYP1A2RAB9ALMNAALDH1A1
SCHEMBL12848445 0.75 MEN1 (0.38) MEN1KMT2ARORCNPC1RAB9A
SCHEMBL12848449 0.75 RORC (0.36) MEN1KMT2ARORCNPC1CYP1A2
SCHEMBL12848757 0.72 MEN1 (0.43) MEN1KMT2ARORCNPC1CYP1A2
SCHEMBL14222427 0.72 MEN1 (0.43) MEN1KMT2ARORCNPC1CYP1A2
SCHEMBL1780134 0.71 IL2 (0.48) MEN1KMT2ACDK2CCNA2CDK1
SCHEMBL14172604 0.70 RAB9A (0.45) MEN1KMT2ANPC1CYP1A2RAB9A
SCHEMBL12848851 0.70 ADORA2A (0.33) MEN1KMT2ARORCNPC1RAB9A
SCHEMBL627356 0.69 IL2 (0.49) MEN1KMT2ACDK2CCNA2CDK1
SCHEMBL12848953 0.69 ADORA2B (0.44) MEN1KMT2ACYP1A2LMNAALDH1A1

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
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
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