SCHEMBL7843442

SCHEMBL7843442

CC(O)C(CC(C)(O)C1CCN(c2ncnc3[nH]ccc23)CC1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ AKT2 P31751 4/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ KIT P10721 2/20 0.48
▸ JAK3 P52333 8/20 0.47
▸ JAK1 P23458 5/20 0.47
▸ JAK2 O60674 4/20 0.47
▸ TYK2 P29597 2/20 0.47

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
SCHEMBL7843600 0.81 AKT2 (0.57) LCKHTR2CAKT2GSK3BKIT
SCHEMBL7851322 0.81 DOT1L (0.49) JAK3JAK1JAK2
SCHEMBL7843438 0.81 HTR2C (0.53) LCKHTR2CAKT2GSK3BKIT
SCHEMBL3959598 0.77 LCK (0.70) LCKHTR2CAKT2GSK3BKIT
SCHEMBL7843606 0.77 AKT2 (0.56) LCKHTR2CAKT2GSK3BKIT
SCHEMBL7843601 0.75 AKT2 (0.66) LCKHTR2CAKT2GSK3BKIT
SCHEMBL7851091 0.73 JAK3 (0.48) LCKHTR2CAKT2GSK3BKIT
SCHEMBL24804985 0.71 LCK (0.71) LCKHTR2CAKT2GSK3BKIT
SCHEMBL3955148 0.71 AKT2 (0.74) LCKHTR2CAKT2GSK3BKIT
SCHEMBL3952655 0.71 AKT2 (0.72) LCKHTR2CAKT2GSK3BKIT

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