SCHEMBL16623130

SCHEMBL16623130

Cc1cc(C2OCCO2)cnc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CB P42338 1/20 0.32
PRKDC P78527 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL31681610 1.00 CYP11B1 (0.38) CYP11B1CYP11B2NSD2CASP6RAB9A
SCHEMBL26388855 0.81 NSD2 (0.36) CYP11B1CYP11B2NSD2CASP6RAB9A
SCHEMBL24411347 0.79 NSD2 (0.35) CYP11B1CYP11B2NSD2CASP6RAB9A
SCHEMBL1337894 0.79 CYP11B1 (0.38) CYP11B1CYP11B2MEN1KMT2ACCNB2
SCHEMBL113598 0.78 CYP11B1 (0.35) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL24411352 0.75 CYP11B1 (0.40) CYP11B1CYP11B2NSD2CASP6RAB9A
SCHEMBL166498 0.73 CYP11B1 (0.33) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL24411329 0.72 SYK (0.37) NSD2CASP6RAB9ACDK1GSK3B
SCHEMBL335593 0.71 CHRNB2 (0.38) CYP11B1CYP11B2NSD2CASP6RAB9A
SCHEMBL21140944 0.70 HTR2A (0.46) CYP11B1CYP11B2RAB9AMEN1KMT2A

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-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed