SCHEMBL6811031

SCHEMBL6811031

CNc1nc(N)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.64
▸ DHFR P00374 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MTOR P42345 2/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ CTSG P08311 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ALOX12 P18054 1/20 0.54

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
SCHEMBL6253328 0.91 ALDH1A1 (0.68) PIK3CGDHFRALDH1A1KDM4EMTOR
SCHEMBL6819013 0.83 NOS1 (0.56) PIK3CGDHFRALDH1A1KDM4ELMNA
SCHEMBL14524242 0.82 PIK3CG (0.69) PIK3CGDHFRALDH1A1KDM4EMTOR
SCHEMBL6811620 0.79 NUDT1 (0.45) PIK3CGDHFRALDH1A1KDM4EMTOR
SCHEMBL3746280 0.78 PIK3CG (1.00) PIK3CGDHFRALDH1A1KDM4EMTOR
SCHEMBL6816554 0.77 NOS1 (0.50) PIK3CGDHFRALDH1A1KDM4ETP53
SCHEMBL3733715 0.77 PTPN1 (0.55) PIK3CGDHFRADORA2APTPN1NLRP3
SCHEMBL17407823 0.76 ADORA2A (0.47) ALDH1A1KDM4EPKMMAPTMEN1
SCHEMBL12954844 0.76 PIK3CG (0.70) PIK3CGDHFRALDH1A1KDM4EMTOR
SCHEMBL6813879 0.75 PIK3CG (0.64) PIK3CGDHFRALDH1A1KDM4EMTOR

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
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 — — EP claimed
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