SCHEMBL13838562

SCHEMBL13838562

Cc1ccncc1C(=O)Nc1cnc(-c2cc(O)c(O)cc2C)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.48
▸ ABL1 P00519 3/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLQ O75417 1/20 0.37
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ ORAI2 Q96SN7 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
SCHEMBL13729449 0.84 IL2 (0.51) IL2ABL1SIRT3TDP1
SCHEMBL13727779 0.84 IL2 (0.51) IL2ABL1SIRT3TDP1
SCHEMBL13730310 0.84 IL2 (0.47) IL2ABL1NPC1RAB9ATP53
SCHEMBL13838310 0.81 IL2 (0.54) IL2ABL1
SCHEMBL15803768 0.80 IL2 (0.43) IL2ABL1NPC1RAB9A
SCHEMBL15803787 0.79 IL2 (0.43) IL2ABL1SIRT3TDP1CSNK1D
SCHEMBL13729037 0.79 IL2 (0.47) IL2ABL1NPC1RAB9ATP53
SCHEMBL15803788 0.78 IL2 (0.42) IL2ABL1SIRT3TDP1CSNK1D
SCHEMBL18671439 0.78 IL2 (0.42) IL2ABL1SIRT3TDP1CSNK1D
SCHEMBL13727394 0.78 IL2 (0.46) IL2ABL1

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-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
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