SCHEMBL7843438

SCHEMBL7843438

CC(C)(O)C1CCN(c2ncnc3[nH]ccc23)CC1.CC(O)CC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ AKT2 P31751 4/20 0.52
▸ GSK3B P49841 3/20 0.52
▸ KIT P10721 2/20 0.51
▸ JAK3 P52333 8/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ ATR Q13535 1/20 0.44
▸ ATRIP Q8WXE1 1/20 0.44

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
SCHEMBL3959598 0.86 LCK (0.70) HTR2CLCKAKT2GSK3BKIT
SCHEMBL7843442 0.81 LCK (0.50) HTR2CLCKAKT2GSK3BKIT
SCHEMBL7851319 0.80 JAK3 (0.51) JAK3JAK2JAK1ATRATRIP
SCHEMBL7843600 0.78 AKT2 (0.57) HTR2CLCKAKT2GSK3BKIT
SCHEMBL7843601 0.78 AKT2 (0.66) HTR2CLCKAKT2GSK3BKIT
SCHEMBL7843606 0.75 AKT2 (0.56) HTR2CLCKAKT2GSK3BKIT
SCHEMBL3538287 0.74 JAK3 (0.59) HTR2CLCKAKT2GSK3BKIT
SCHEMBL3961817 0.73 JAK3 (0.69) LCKAKT2GSK3BKITJAK3
SCHEMBL3952655 0.73 AKT2 (0.72) HTR2CLCKAKT2GSK3BKIT
SCHEMBL7851085 0.73 JAK3 (0.50) HTR2CLCKJAK3JAK1

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
EP-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — WO disclosed
Send feedback