SCHEMBL16123777

SCHEMBL16123777

Cc1cccc(Cn2c3ncnc4c(ncn4Cc4ccccc4I)c-3nc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL12112250 0.92 PIK3CD (0.37) PIK3CDADORA2A
SCHEMBL12112236 0.91 PIK3CD (0.47) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL13394115 0.89 PIK3CD (0.41) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112237 0.88 PDE4A (0.42) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112243 0.88 PIK3CD (0.40) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214178 0.88 PIK3CD (0.40) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL15214193 0.88 SLC29A1 (0.46) PIK3CDADORA2AADORA1HPGDTSHR
SCHEMBL12112232 0.81 PIK3CD (0.39) PIK3CDADORA2A
SCHEMBL12112229 0.81 SLC29A1 (0.43) PIK3CDADORA2AHPGDALDH1A1LMNA
SCHEMBL12112249 0.81 SLC29A1 (0.43) PIK3CDADORA2AADORA1

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-2014149084-A2 DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-25 — — WO disclosed
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