SCHEMBL7853366

SCHEMBL7853366

c1ccc(CCCC2CCN(c3ncnc4[nH]ccc34)CC2)cc1.c1ccc(CCCC2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 3/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ HTR2C P28335 1/20 0.57
▸ KIT P10721 2/20 0.55
▸ LCK P06239 1/20 0.54
▸ JAK3 P52333 8/20 0.51
▸ JAK2 O60674 3/20 0.51
▸ JAK1 P23458 3/20 0.51
▸ TYK2 P29597 3/20 0.51
▸ DOT1L Q8TEK3 1/20 0.48
▸ BTK Q06187 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
SCHEMBL3957905 0.95 AKT2 (0.65) AKT2GSK3BHTR2CKITLCK
SCHEMBL7852543 0.87 AKT2 (0.63) AKT2GSK3BHTR2CKITLCK
SCHEMBL7843601 0.83 AKT2 (0.66) AKT2GSK3BHTR2CKITLCK
SCHEMBL2048915 0.81 AKT2 (0.70) AKT2GSK3BHTR2CKITLCK
SCHEMBL3955148 0.77 AKT2 (0.74) AKT2GSK3BHTR2CKITLCK
SCHEMBL4125661 0.75 AKT2 (1.00) AKT2GSK3BHTR2CKITLCK
SCHEMBL7843600 0.75 AKT2 (0.57) AKT2GSK3BHTR2CKITLCK
SCHEMBL2251760 0.74 HTR2C (1.00) AKT2GSK3BHTR2CKITLCK
SCHEMBL82734 0.74 GBA1 (0.61) —
SCHEMBL2022114 0.74 AKT2 (0.69) AKT2GSK3BHTR2CKITLCK

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