SCHEMBL14411706

SCHEMBL14411706

CCC(C)NC(=O)c1cncn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
CCR1 P32246 2/20 0.37
CYP3A4 P08684 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL13906071 0.88 HSP90AA1 (0.42) MEN1KMT2AALDH1A1HPGDHSP90AA1
SCHEMBL12561619 0.83 TRPC3 (0.43) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL12376652 0.78 LMNA (0.42) MEN1KMT2AALDH1A1HSP90AA1HSP90AB1
SCHEMBL29812169 0.74 TYK2 (0.41) MEN1KMT2AHSP90AA1HSP90AB1LMNA
SCHEMBL24571817 0.69 ALDH1A1 (0.76) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL9004445 0.68 MET (0.53) MEN1KMT2ACYP3A4RIPK3
SCHEMBL18896227 0.65 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL18896304 0.65 CTSL (0.55) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12376646 0.65 RIPK1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14109842 0.65 TDP1 (0.43) MEN1KMT2AALDH1A1HPGDHSP90AA1

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-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed