SCHEMBL27705333

SCHEMBL27705333

COc1c(C(=O)O)ccc(C)c1-c1cnc(NC(=O)c2ccncc2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.40
▸ SORT1 Q99523 4/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ ABCC1 P33527 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLQ O75417 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL27705388 0.91 SORT1 (0.38) IL2SORT1RAB9ANPC1ALOX15
SCHEMBL15395956 0.74 KDM4E (0.47) IL2RAB9ANPC1TP53MITF
SCHEMBL5554369 0.74 IL2 (0.51) IL2RAB9A
SCHEMBL15395772 0.74 IL2 (0.55) IL2RAB9ANPC1
SCHEMBL5550650 0.73 ORAI1 (0.52) IL2RAB9ANPC1TP53MITF
SCHEMBL5550506 0.73 IL2 (0.44) IL2SORT1RAB9ANPC1TP53
SCHEMBL5554305 0.73 IL2 (0.44) IL2RAB9ANPC1TP53POLQ
SCHEMBL5555293 0.73 IL2 (0.51) IL2
SCHEMBL5998369 0.72 IL2 (0.45) IL2RAB9ANPC1TP53GAA
SCHEMBL8260575 0.71 IL2 (0.48) IL2POLQ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163478-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2008-04-16 — — CN claimed
CN-101163478-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2008-04-16 — — CN disclosed
Send feedback