SCHEMBL11052894

SCHEMBL11052894

Nc1nc(N)c2nc(-c3ccccc3Br)c(N)nc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
JAK2 O60674 1/20 0.62
GMNN O75496 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
GLA P06280 1/20 0.62
CTSG P08311 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
ALOX12 P18054 1/20 0.62

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
SCHEMBL10537080 0.81 SMN1; SMN2 (0.62) MTORHSD17B10SMN1; SMN2KDM4EJAK2
SCHEMBL8897901 0.81 CYP2D6 (0.62) MTORHSD17B10SMN1; SMN2KDM4EJAK2
SCHEMBL10456495 0.81 MTOR (0.62) MTORHSD17B10SMN1; SMN2KDM4EJAK2
SCHEMBL11099911 0.78 MTOR (0.57) MTORHSD17B10SMN1; SMN2KDM4EJAK2
Triamterene SCHEMBL40707 0.77 ALDH1A1 (1.00) MTORHSD17B10SMN1; SMN2KDM4EJAK2
Triamterene SCHEMBL5421685 0.77 ALDH1A1 (1.00) MTORHSD17B10SMN1; SMN2KDM4EJAK2
Triamterene SCHEMBL29531410 0.77 ALDH1A1 (1.00) MTORHSD17B10SMN1; SMN2KDM4EJAK2
Triamterene SCHEMBL11044581 0.76 ALDH1A1 (0.97) MTORHSD17B10SMN1; SMN2KDM4EJAK2
SCHEMBL977030 0.75 CSNK1A1 (0.56) HSD17B10SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3746280 0.71 PIK3CG (1.00) MTORHSD17B10SMN1; SMN2KDM4EJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425346-A ANTIGLAUCOMA AGENTS SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US claimed
EP-0059524-A1 Pharmaceutical composition containing aminopteridines or aminopyrimido(4,5-d)pyrimidines Smith and Nephew Associated Companies p.l.c. (GB) 1982-09-08 EP claimed
US-4425346-A ANTIGLAUCOMA AGENTS SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US disclosed
EP-0059524-A1 Pharmaceutical composition containing aminopteridines or aminopyrimido(4,5-d)pyrimidines Smith and Nephew Associated Companies p.l.c. (GB) 1982-09-08 EP disclosed